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authorKarl Berry <karl@freefriends.org>2012-07-26 00:13:55 +0000
committerKarl Berry <karl@freefriends.org>2012-07-26 00:13:55 +0000
commit9e01bdb935ec7b0e2a43c548d9168c78e9b38bc0 (patch)
tree18e2ac08bf0eaee9424c4d13d085ba05117c5311 /Master/texmf-dist/doc/latex/chemmacros
parent40e66b62cf15c6041243e1bff5325feec4d2ac8d (diff)
chemmacros 3.3d (25jul12)
git-svn-id: svn://tug.org/texlive/trunk@27156 c570f23f-e606-0410-a88d-b1316a301751
Diffstat (limited to 'Master/texmf-dist/doc/latex/chemmacros')
-rw-r--r--Master/texmf-dist/doc/latex/chemmacros/README8
-rw-r--r--Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.pdfbin792513 -> 799572 bytes
-rw-r--r--Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.tex283
-rw-r--r--Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdfbin777566 -> 781410 bytes
-rw-r--r--Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex1331
-rw-r--r--Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.pdfbin0 -> 785507 bytes
-rw-r--r--Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.tex2667
7 files changed, 3753 insertions, 536 deletions
diff --git a/Master/texmf-dist/doc/latex/chemmacros/README b/Master/texmf-dist/doc/latex/chemmacros/README
index 6d7810316e8..4a531f27605 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/README
+++ b/Master/texmf-dist/doc/latex/chemmacros/README
@@ -1,10 +1,10 @@
--------------------------------------------------------------------------
-the CHEMMACROS bundle v3.3b
+the CHEMMACROS bundle v3.3d
-> chemmacros package -> macros and commands for chemists
-> chemformula package -> typeset chemical compounds and reactions
-> ghsystem package -> typeset H & P statements and pictograms
from the globally harmonised system (GHS)
-2012/05/18
+2012/07/24
--------------------------------------------------------------------------
This bundle succeeds the chemmacros package which is now part of the
bundle
@@ -31,7 +31,7 @@ INSTALLATION NOTES:
Please make sure you have the directories
language/
pictures/
-and the regarding files in it (*.def or *.eps,*.jpg,*png, respectively)
+and the regarding files in it (*.def or *.eps,*.jpg,*png, or *.pdf respectively)
in the _same_ directory as the style files.
(probably something like $TEXMF/texmf/tex/latex/chemmacros/)
--------------------------------------------------------------------------
@@ -43,7 +43,7 @@ The chemmacros bundle consists of the files
- chemmacros_en.tex, chemmacros_en.pdf,
- chemmacros_de.tex, chemmacros_de.pdf,
- README,
- - eps-, png- and jpg-files for the GHS pictograms (3x31 pictures),
+ - eps-, png-, pdf- and jpg-files for the GHS pictograms (4x31 pictures),
- language-definition files:
ghsystem_german.def,
ghsystem_english.def,
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.pdf b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.pdf
index eb6a3688bff..10bd197f1ef 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.pdf
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.tex b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.tex
index 9d914a17c17..29c9a1fb012 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.tex
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_de.tex
@@ -1,3 +1,9 @@
+% arara: xelatex
+% arara: biber
+% arara: xelatex
+% arara: xelatex
+% arara: makeindex: { sort: true, style: chemmacros_de.ist }
+% arara: xelatex
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% -----------------------------------------------------------------------------
% - the CHEMMACROS bundle
@@ -5,7 +11,7 @@
% - macros and commands for chemists
% -----------------------------------------------------------------------------
% - Clemens Niederberger
-% - 2012/05/18
+% -
% -----------------------------------------------------------------------------
% - https://bitbucket.org/cgnieder/chemmacros/
% - contact@mychemistry.eu
@@ -36,8 +42,8 @@
% b) you need the following compilation order:
% > xelatex chemmacros_de (2 or probably 3 times)
% > biber chemmacros_de
-% > makeindex -sl index_de.ist chemmacros_de.idx
-% > xelatex chemmacros_de
+% > makeindex -sl chemmacros_de.ist chemmacros_de.idx
+% > xelatex chemmacros_de (2 times)
%
\documentclass[DIV11,toc=index,toc=bib]{cnpkgdoc}
\docsetup{
@@ -53,35 +59,49 @@
\usepackage{chemfig,chemstyle,upgreek,textgreek,booktabs,cancel}
\usepackage[version=3]{mhchem}
\usepackage{hologo}
+\usepackage{fnpct}
+\usepackage[biblatex]{embrac}
+\ChangeEmph{[}[,.02em]{]}[.055em,-.08em]
+\ChangeEmph{(}[-.01em,.04em]{)}[.04em,-.05em]
\chemsetup[option]{synchronize,language=german}
\colorlet{chemformula}{darkgray}
-\begin{filecontents}{index_de.ist}
- preamble "\\begin{theindex}\n Überschriften werden \\textbf{fett}, Pakete \\textsf{serifenlos}, Befehle \\code{\\textbackslash\\textcolor{code}{braun}}, Optionen \\textcolor{key}{\\code{grün}} und Module (nur \\chemmacros) \\textcolor{module}{\\code{rot}} gesetzt.\\newline\n\n"
+\usepackage{filecontents}
+
+\begin{filecontents*}{\jobname.ist}
+ preamble "\\begin{theindex}\n Überschriften werden \\textbf{fett}, Pakete
+ \\textsf{serifenlos}, Befehle \\code{\\textbackslash\\textcolor{code}{braun}},
+ Optionen \\textcolor{key}{\\code{grün}} und Module (nur \\chemmacros)
+ \\textcolor{module}{\\code{rot}} gesetzt.\\newline\n\n"
heading_prefix "{\\bfseries "
heading_suffix "\\hfil}\\nopagebreak\n"
headings_flag 1
- delim_0 "\\dotfill "
- delim_1 "\\dotfill "
- delim_2 "\\dotfill "
+ delim_0 "\\ \\dotfill\\ "
+ delim_1 "\\ \\dotfill\\ "
+ delim_2 "\\ \\dotfill\\ "
delim_r "\\textendash"
suffix_2p "\\nohyperpage{\\,f.}"
suffix_3p "\\nohyperpage{\\,ff.}"
-\end{filecontents}
+\end{filecontents*}
\usepackage[backend=biber,style=alphabetic,maxbibnames=20]{biblatex}
\addbibresource{\jobname.bib}
-\begin{filecontents}{\jobname.bib}
+\begin{filecontents*}{\jobname.bib}
@book{iupac:greenbook,
- author = {E. Richard Cohan and Tomislav Cvita\v{s} and Jeremy G. Frey and Bertil Holmström and Kozo Kuchitsu and Roberto Marquardt and Ian Mills and Franco Pavese and Martin Quack and Jürgen Stohner and Herbert L. Strauss and Michio Takami and Anders J Thor},
- title = {“Quantities, Symbols and Units in Physical Chemistry”, \IUPAC Green Book},
+ author = {E. Richard Cohan and Tomislav Cvita\v{s} and Jeremy G. Frey and
+ Bertil Holmström and Kozo Kuchitsu and Roberto Marquardt and Ian Mills and
+ Franco Pavese and Martin Quack and Jürgen Stohner and Herbert L. Strauss and
+ Michio Takami and Anders J Thor},
+ title = {“Quantities, Symbols and Units in Physical Chemistry”, \IUPAC Green
+ Book},
edition = {3rd Edition. 2nd Printing},
year = {2008},
publisher = { \IUPAC \&\ RSC Publishing, Cambridge}
}
@book{iupac:redbook,
- author = {Neil G. Connelly and Ture Damhus and Richard M. Hartshorn and Alan T. Hutton},
+ author = {Neil G. Connelly and Ture Damhus and Richard M. Hartshorn and
+ Alan T. Hutton},
title = {“Nomenclature of Inorganic Chemistry”, \IUPAC Red Book},
year = {2005},
publisher = { \IUPAC \&\ RSC Publishing, Cambridge},
@@ -89,8 +109,11 @@
}
@misc{eu:ghsystem_regulation,
author = {{The European Parliament and The Council of the European Union}},
- title = {Regulation (EC) No 1272/2008 of the European Parliament and of the Council},
- subtitle = {on classification, labelling and packaging of substances and mixtures, amending and repealing Directives 67/548/EEC and 1999/45/EC, and amending Regulation (EC) No 1907/2006},
+ title = {Regulation (EC) No 1272/2008 of the European Parliament and of the
+ Council},
+ subtitle = {on classification, labelling and packaging of substances and mixtures,
+ amending and repealing Directives 67/548/EEC and 1999/45/EC, and amending Regulation
+ (EC) No 1907/2006},
journal = {Official Journal of the European Union},
date = {2008-12-16}
}
@@ -101,7 +124,7 @@
urldate = {2012-03-20},
date = {2012-03-20}
}
-\end{filecontents}
+\end{filecontents*}
\DeclareInstance{xfrac}{chemformula-text-frac}{text}
{
@@ -237,15 +260,15 @@ Sowohl \chemformula als auch \ghsystem haben keine eigenen Paketoptionen. Wenn S
% ghsystem
\option[option]{ghsystem}{\default{true}/false} Das Paket \ghsystem abschalten. Die Einstellung \key{ghs}{false} wird das Laden von \ghsystem unterbinden. Default = \code{true}
% greek
- \option[option]{greek}{math/textgreek/\default{upgreek}} Diese Option bestimmt, wie die Buchstaben \cmd{Chemalpha} und seine Verwandten dargestellt werden. Siehe Seite \pageref{desc:upgreek} für weitere Informationen. Diese Option kann nur in der Präambel gesetzt werden. Default = \code{upgreek}
+ \option[option]{greek}{math/textgreek/\default{upgreek}} Diese Option bestimmt, wie die Buchstaben \cmd{Chemalpha} und seine Verwandten dargestellt werden. Siehe Seite~\pageref{desc:upgreek} für weitere Informationen. Diese Option kann nur in der Präambel gesetzt werden. Default = \code{upgreek}
% iupac
- \option[option]{iupac}{auto/restricted/strict} Einstellen, wie die Nomenklatur-Befehle definiert werden. Siehe Seite \pageref{desc:iupac}. Default = \code{auto}
+ \option[option]{iupac}{auto/restricted/strict} Einstellen, wie die Nomenklatur-Befehle definiert werden. Siehe Seite~\pageref{desc:iupac}. Default = \code{auto}
% language
\option[option]{language}{american/british/english/french/german/italian/ngerman} Sprachspezifische Einstellungen laden. \code{english}, \code{american} und \code{british} sind Aliase, ebenso \code{german} und \code{ngerman}. Diese Option kann nur in der Präambel gesetzt werden. Default = \code{english}
% method
\option[option]{method}{\default{chemformula}/mhchem} Sie können wählen, ob \chemmacros \paket{mhchem} oder \chemformula für die Reaktionsumgebungen (siehe Abschnitt \ref{sec:reactions}) und die Teilchen (siehe Abschnitt \ref{sec:teilchen}) verwendet. Default = \code{chemformula}. Diese Option kann nur in der Präambel gesetzt werden.
% Nu
- \option[option]{Nu}{\default{chemmacros}/mathspec} Das Paket \paket{mathspec} definiert ebenfalls ein Makro \cmd{Nu}. Diese Option entscheidet, welche Definition gilt, siehe Seite \pageref{Nu}. Default = \code{chemmacros}. Diese Option kann nur in der Präambel gesetzt werden.
+ \option[option]{Nu}{\default{chemmacros}/mathspec} Das Paket \paket{mathspec} definiert ebenfalls ein Makro \cmd{Nu}. Diese Option entscheidet, welche Definition gilt, siehe Seite~\pageref{Nu}. Default = \code{chemmacros}. Diese Option kann nur in der Präambel gesetzt werden.
% strict
\option[option]{strict}{\default{true}/false} Die Einstellung \key{strict}{true} wird alle Warnungen in Fehlermeldungen ändern. Default = \code{false}
% synchronize
@@ -311,7 +334,7 @@ Bei der Sprachwahl \code{italian} werden zusätzliche IUPAC-Befehle definiert:
\begin{itemize}
\item Ab Version 3.3 gibt es die Umgebung \env{experimental}{}, siehe Abschnitt \ref{sec:spektroskopie}, die mit einigen neuen Befehlen und Optionen verwendet werden kann, um Messdaten konsistent darzustellen.
\item Die Umgebung \env{reaction}{} und ihre Verwandten können nun mit \lstinline+\label+, \lstinline+\ref+ und \lstinline+\intertext+ umgehen, siehe Abschnitt \ref{sec:reactions}.
- \item Die Paketoptionen \key{german} und \key{ngerman} entfallen, dafür gibt es die neue Option \key{language}, siehe Seite \pageref{key:option_language} und Abschnitt \ref{sec:languages} ab Seite \pageref{sec:languages}.
+ \item Die Paketoptionen \key{german} und \key{ngerman} entfallen, dafür gibt es die neue Option \key{language}, siehe Seite~\pageref{key:option_language} und Abschnitt \ref{sec:languages} ab Seite~\pageref{sec:languages}.
\item Die Paketoption \key{upgreek} wurde umbenannt in \key{greek}.
\item Die \code{\textbackslash\textcolor{code}{Chem<greekletter>}}-Befehle wurden um einige Buchstaben erweitert, siehe Abschnitt \ref{sec:teilchen}.
\end{itemize}
@@ -321,6 +344,15 @@ Bei der Sprachwahl \code{italian} werden zusätzliche IUPAC-Befehle definiert:
\item Die IUPAC-Befehle \cmd{hapto} und \cmd{bridge} sind neu.
\item Die H- und P-Sätze sind jetzt auch auf italienisch verfügbar.
\end{itemize}
+
+\subsection{Verison 3.3d}
+\begin{itemize}
+ \item \code{pdf}-Versionen der GHS-Piktogramme.
+ \item Neue Voreinstellungen für Bindungslänge und Bindungs-Offset, siehe Seite
+ \pageref{ssec:compounds:customization}.
+ \item Neue Option \key{bond-style}, siehe Seite~\pageref{ssec:compounds:customization}.
+ \item neue Option \key{cip-kern}, siehe Seite~\pageref{par:cip}
+\end{itemize}
\secidx*{Neues}\secidx*{BEVOR ES LOS GEHT}
\part{\texorpdfstring{\Chemmacros}{chemmacros}}\secidx{CHEMMACROS}
@@ -390,11 +422,11 @@ Wenn Sie nicht wollen, dass \chemmacros automatisch wählt, sondern selbst entsc
Der Grund dafür, dass \chemmacros diese Makros überhaupt definiert, ist \IUPAC-Konformität. \IUPAC empfiehlt, aufrechte griechische Buchstaben in der Nomenklatur verwenden.
-\begin{zitat}[\IUPAC Green Book \cite[][p.\,9]{iupac:greenbook}]
+\begin{zitat}[{\IUPAC Green Book \cite[][p.\,9]{iupac:greenbook}}]
Greek letters are used in systematic organic, inorganic, macromolecular and biochemical nomenclature. These should be roman (upright), since they are not symbols for physical quantities.
\end{zitat}
-\chemmacros verwendet diese Befehle nun, um Nomenklatur-Befehle zu definieren, siehe Seite \pageref{par:greek_letters}.
+\chemmacros verwendet diese Befehle nun, um Nomenklatur-Befehle zu definieren, siehe Seite~\pageref{par:greek_letters}.
\subsection{Eigene Teilchen definieren}\secidx[eigene]{Teilchen, Ionen und Symbole}
Manchmal kann es sicherlich nützlich sein, andere Teilchen als Makro zur Verfügung zu haben, etwa \lstinline+\positron+ oder \lstinline+\photon+. Mit diesem Befehl kann das einfach erreicht werden:
@@ -492,13 +524,22 @@ Bindungen an Heteroatome und addierter Wasserstoff werden durch kursive Buchstab
\iupac{\O\-ethyl hexanethioate}
\end{beispiel}
-\paragraph{Cahn-Ingold-Prelog}\index{Cahn-Ingold-Prelog}\secidx[Cahn-Ingold-Prelog]{IUPAC-Namen}
+\paragraph{Cahn-Ingold-Prelog}\index{Cahn-Ingold-Prelog}\secidx[Cahn-Ingold-Prelog]{IUPAC-Namen}\label{par:cip}
\begin{beschreibung}
\befehl{cip}{<conf>} \zB: \cmd{cip}{R,S} \cip{R,S}
\befehl{R} \iupac{\R}
\befehl{S} \iupac{\S}
\end{beschreibung}
-Da der Befehl \cmd{S} schon eine andere Bedeutung hat (\S), ist er in der Voreinstellung nur innerhalb \cmd{iupac} verfügbar.
+Da der Befehl \cmd{S} schon eine andere Bedeutung hat (\S), ist er in der
+Voreinstellung nur innerhalb \cmd{iupac} verfügbar.
+
+Sowohl diese Befehle als auch die entgegen/zusammen-Deskriptoren erhalten etwas
+Kerning nach der schließenden Klammer. Der betrag kann durch folgende Option geändert
+werden:
+\begin{beschreibung}
+ \option[iupac]{cip-kern}{<dim>} Betrag des Kernings nach der schließenden Klammer.
+ Default = \code{.1ex}
+\end{beschreibung}
\paragraph{Fischer}\index{Fischer}\secidx[Fischer]{IUPAC-Namen}
\begin{beschreibung}
@@ -572,7 +613,7 @@ Wenn Ihnen Befehle fehlen sollten, können Sie neue definieren.
Ein Befehl, der in dieser Weise definiert wurde, gehorcht der Option \key[option]{iupac}. Das bedeutet, dass bestehende Befehle nur überschrieben werden, wenn Sie die Paketoption \key{iupac}{strict} verwenden. \cmd{DeclareChemIUPAC} wird jedoch die Definition eines bestehenden Nomenklatur-Befehls \emph{nicht} überschreiben, sondern eine Warnung/einen Fehler melden (abhängig von der Paketoption \key{strict}).
\begin{beispiel}
\DeclareChemIUPAC\endo{\textit{endo}}
- \DeclareChemIUPAC\anti{\textit{anti}}
+ \RenewChemIUPAC\anti{\textit{anti}}
\iupac{(2\-\endo,7\-\anti)\-2\-bromo\-7\-fluoro\|bicyclo[2.2.1]heptane}
\end{beispiel}
@@ -651,7 +692,7 @@ Einfache Darstellung von \pH, \pKa \ldots\ (der Befehl \cmd{pKa} hängt von der
\end{beispiel}
\achtung{Das voreingestellte Erscheinungsbild der \p{}-Befehle hat sich verändert, um der \IUPAC-Empfehlung zu folgen.}
-\begin{zitat}[\IUPAC Green Book \cite[][p.\,103]{iupac:greenbook}]
+\begin{zitat}[{\IUPAC Green Book \cite[][p.\,103]{iupac:greenbook}}]
The operator \p{} […] shall be printed in Roman type.
\end{zitat}
@@ -865,6 +906,7 @@ Die Voreinstellung der vertikalen Linien kann mit
\option[redox]{dist}{<dim>} Default = \code{.6em}
\end{beschreibung}
angepasst werden:
+\newpage
\begin{beispiel}[dist]
\chemsetup{redox/dist=1em}
\OX{a,Na} $\rightarrow$ \OX{b,Na}\pch\redox(a,b)[->,red]{ox}
@@ -896,6 +938,7 @@ Beispiele:% TODO: watch pagebreaks!
\redox(r1,r2)[][-1]{\small RED: $+ 2\el$}
\vspace{7mm}
\end{beispiel}
+\newpage
\bspmidlength{dist}{15mm}
\begin{beispiel}[dist]
\ch{ 2 "\OX{o1,\ox{0,Na}}" + "\OX{r1,\ox{0,Cl}}" {}2 -> 2 "\OX{o2,\ox{+1,Na}}"
@@ -903,7 +946,6 @@ Beispiele:% TODO: watch pagebreaks!
\redox(o1,o2)[draw=red,->][3.33]{\small OX: $- 2\el$}
\redox(r1,r2)[draw=blue,->]{\small RED: $+ 2\el$}
\end{beispiel}
-\newpage
\bspmidlength{dist}{7mm}
\begin{beispiel}[dist]
\ch{ 2 "\OX{o1,\ox{0,Na}}" + "\OX{r1,\ox{0,Cl}}" {}2 -> 2 "\OX{o2,\ox{+1,Na}}"
@@ -1421,7 +1463,7 @@ verwenden.
"\Lewis{4.,\vphantom{CH}}" CH3 + Cl2 &-> CH3Cl + Cl "\Lewis{0.,\vphantom{Cl}}" \AddRxnDesc{second~step~of~chain}
\end{reactions}
\end{beispiel}
-Nebenbei: Sie müssen die Phantom-Befehle nicht verwenden, wenn Sie das Format der Atome nicht geändert haben, siehe Abschnitt \ref{sec:format} an Seite \pageref{sec:format}.
+Nebenbei: Sie müssen die Phantom-Befehle nicht verwenden, wenn Sie das Format der Atome nicht geändert haben, siehe Abschnitt \ref{sec:format} an Seite~\pageref{sec:format}.
\secidx*{Reaktionsumgebungen}
\section{Phasen}\label{sec:phasen}\secidx{Phasen}
@@ -1816,7 +1858,7 @@ Die Hochstellungen verhalten sich unterschiedlich abhängig von ihrer Position i
\end{beispiel}
\begin{itemize}
\item Wenn eine Formel mit einer Hochstellung \emph{startet}, werden Hoch- und Tiefstellung \emph{rechts} ausgerichtet, ansonsten \emph{links}.
- \item Wenn eine Hochstellung einer Tiefstellung \emph{folgt}, wird sie zusätzlich um eine Länge verschoben, die durch die Option \key{charge-hshift}{<dim>} bestimmt wird, siehe auch Seite \pageref{desc:charge-hshift}f.
+ \item Wenn eine Hochstellung einer Tiefstellung \emph{folgt}, wird sie zusätzlich um eine Länge verschoben, die durch die Option \key{charge-hshift}{<dim>} bestimmt wird, siehe auch Seite~\pageref{desc:charge-hshift}f.
\end{itemize}
Der zweite Punkt folgt der \IUPAC-Empfehlung:
@@ -1832,7 +1874,7 @@ Der zweite Punkt folgt der \IUPAC-Empfehlung:
dreifach: \ch{CH+CH}
\end{beispiel}
-\subsection{Anpassung}\secidx[Anpassung]{Summenformeln}
+\subsection{Anpassung}\secidx[Anpassung]{Summenformeln}\label{ssec:compounds:customization}
Diese Optionen ermöglichen Ihnen, den Output anzupassen:
\begin{beschreibung}
\option{subscript-vshift}{<dim>} Extra vertikale Verschiebung der Tiefstellungen. Default = \code{0pt}
@@ -1840,8 +1882,9 @@ Diese Optionen ermöglichen Ihnen, den Output anzupassen:
\option{charge-hshift}{<dim>} Verschiebung von Hochstellungen, wenn sie einer Tiefstellung folgen. Default = \code{.5ex}\label{desc:charge-hshift}
\option{charge-style}{text/math} Stil, der für Hochstellungen verwendet wird. Default = \code{text}
\option{adduct-space}{<dim>} Leerraum links und rechts des Addukt-Punktes. Default = \code{.1333em}
- \option{bond-length}{<dim>} Die Länge der Bindungen. Als Default-Länge wird die Länge eines Halbgeviertstrichs verwendet, wie sie mit \lstinline+\settowidth{<len>}{\textendash}+ bestimmt wird.
- \option{bond-offset}{<dim>} Der Abstand zwischen Atom und Bindung. Default = \code{0pt}
+ \option{bond-length}{<dim>} Die Länge der Bindungen. Default = \code{1.1667ex}
+ \option{bond-offset}{<dim>} Der Abstand zwischen Atom und Bindung. Default = \code{.07em}
+ \option{bond-style}{<tikz>} \TikZ-Optionen für die Einfachbindung. Zunächst undefiniert.
\end{beschreibung}
Vielleicht ist Ihnen aufgefallen, dass bei manchen Ionen die Ladungen nach rechts verschoben sind:\secidx[Ladungen!Verschiebung]{Summenformeln}
@@ -2378,20 +2421,22 @@ Mit den folgenden Optionen können diese Lücken gefüllt werden:
\option{lbs-mass}{<num>} Füllt Pfund-Masse.
\end{beschreibung}
\begin{beispiel}
- \ghs[dots=Arzt kontaktieren!]{p}{301} \\
- \ghs[text=here]{p}{401} \\
+ \ghs[text=Arzt kontaktieren!]{p}{301} \\
+ \ghs[dots=hier]{p}{401} \\
\ghs[C-temperature=50, F-temperature=122]{p}{411} \\
\ghs[kg-mass=5.0, lbs-mass=11, C-temperature=50, F-temperature=122]{p}{413}
\end{beispiel}
\subsection{Kombinierte Sätze}\secidx[kombinierte Saetze@kombinierte Sätze]{GHSYSTEM}
-Es existieren einige Kombinationen von Sätzen. Sie werden mit einem \code{+} zwischen den Nummern eingegeben:
+Es existieren einige Kombinationen von Sätzen. Sie werden mit einem \code{+}
+zwischen den Nummern eingegeben:
\begin{beispiel}[below]
\ghs{p}{235+410} \\
\ghs{p}{301+330+331}
\end{beispiel}
-Beachten Sie, dass sie nur offizielle Kombinationen eingeben können. \emph{Sie können die Sätze nicht frei kombinieren}.
+Beachten Sie, dass sie nur offizielle Kombinationen eingeben können. \emph{Sie
+können die Sätze nicht frei kombinieren}.
\secidx*{Gefahren- und Sicherheitssätze}[Gefahren- und Sicherheitssaetze]
\section{Piktogramme}\secidx{Piktogramme}
@@ -2404,7 +2449,7 @@ Der Befehl
\begin{beschreibung}
\Befehl{ghspic}[<options>]{<name>}
\end{beschreibung}
-lädt sie. \ref{tab:ghs_pictograms} zeigt alle Piktogramme und ihre Dateinamen. Genauer: sie zeigt die Namen, die beim Befehl \cmd{ghspic} verwendet werden müssen. Tatsächlich heißen sie \lstinline=ghsystem_<name>.<filetype>=, wobei \code{<filetype>} entweder \code{eps}, \code{jpg} oder \code{png} ist, siehe auch Abschnitt \ref{ssec:picture_type}.
+lädt sie. \ref{tab:ghs_pictograms} zeigt alle Piktogramme und ihre Dateinamen. Genauer: sie zeigt die Namen, die beim Befehl \cmd{ghspic} verwendet werden müssen. Tatsächlich heißen sie \lstinline=ghsystem_<name>.<filetype>=, wobei \code{<filetype>} entweder \code{eps}, \code{pdf}, \code{jpg} oder \code{png} ist, siehe auch Abschnitt \ref{ssec:picture_type}.
\begin{beispiel}
\ghspic{skull}
\end{beispiel}
@@ -2463,7 +2508,7 @@ Die letztgenannten können jedoch \code{jpg}- und \code{png}-Dateien ohne Schwie
Um das Problem zu lösen, testet \ghsystem, welche Engine verwendet wird und falls es \pdfTeX\ ist, in welchem Modus es verwendet wird. Dann wird entwder das \code{eps}- oder das \code{png}-Bild für die Piktogramme verwendet. Sie können den Bildtyp über die Option
\begin{beschreibung}
- \Option{pic-type}{eps/jpg/png}
+ \Option{pic-type}{eps/pdf/jpg/png}
\end{beschreibung}
jedoch frei wählen.
\secidx*{Piktogramme}
@@ -2537,114 +2582,114 @@ Manche Optionen können ohne Wert verwendet werden. Dann wird der \default{unter
\bottomrule
\endfoot
\multicolumn{5}{l}{Paketoptionen:} \\
- bpchem & option & \default{true}/false & false & Seite \pageref{key:option_bpchem} \\
- circled & option & formal/\default{all}/none & formal & Seite \pageref{key:option_circled} \\
- circletype & option & chem/math & chem & Seite \pageref{key:option_circletype} \\
- cmversion & option & 1/2/bundle & bundle & Seite \pageref{key:option_cmversion} \\
- ghsystem & option & \default{true}/false & true & Seite \pageref{key:option_ghsystem} \\
- iupac & option & auto/restricted/strict & auto & Seite \pageref{key:option_iupac} \\
- language & option & <language> & english & Seite \pageref{key:option_language} \\
- method & option & chemformula/formula & formula & Seite \pageref{key:option_method} \\
- Nu & option & chemmacros/mathspec & chemmacros & Seite \pageref{key:option_Nu} \\
- strict & option & \default{true}/false & false & Seite \pageref{key:option_strict} \\
- synchronize & option & \default{true}/false & false & Seite \pageref{key:option_synchronize} \\
- greek & option & math/textgreek/\default{upgreek} & upgreek & Seite \pageref{key:option_greek} \\
- xspace & option & \default{true}/false & true & Seite \pageref{key:option_xspace} \\
+ bpchem & option & \default{true}/false & false & Seite~\pageref{key:option_bpchem} \\
+ circled & option & formal/\default{all}/none & formal & Seite~\pageref{key:option_circled} \\
+ circletype & option & chem/math & chem & Seite~\pageref{key:option_circletype} \\
+ cmversion & option & 1/2/bundle & bundle & Seite~\pageref{key:option_cmversion} \\
+ ghsystem & option & \default{true}/false & true & Seite~\pageref{key:option_ghsystem} \\
+ iupac & option & auto/restricted/strict & auto & Seite~\pageref{key:option_iupac} \\
+ language & option & <language> & english & Seite~\pageref{key:option_language} \\
+ method & option & chemformula/formula & formula & Seite~\pageref{key:option_method} \\
+ Nu & option & chemmacros/mathspec & chemmacros & Seite~\pageref{key:option_Nu} \\
+ strict & option & \default{true}/false & false & Seite~\pageref{key:option_strict} \\
+ synchronize & option & \default{true}/false & false & Seite~\pageref{key:option_synchronize} \\
+ greek & option & math/textgreek/\default{upgreek} & upgreek & Seite~\pageref{key:option_greek} \\
+ xspace & option & \default{true}/false & true & Seite~\pageref{key:option_xspace} \\
\multicolumn{5}{l}{\cmd{ba}, \cmd{Nu}:} \\
- elpair & particle & \default{dots}/dash/false & false & Seite \pageref{key:particle_elpair} \\
+ elpair & particle & \default{dots}/dash/false & false & Seite~\pageref{key:particle_elpair} \\
\multicolumn{5}{l}{IUPAC-Befehle:} \\
- break-space & iupac & <dim> & .01em & Seite \pageref{key:iupac_break-space} \\
- bridge-number & iupac & sub/super & sub & Seite \pageref{key:iupac_bridge-number} \\
- coord-use-hyphen & iupac & \default{true}/false & true & Seite \pageref{key:iupac_coord-use-hyphen} \\
- hyphen-pre-space & iupac & <dim> & .01em & Seite \pageref{key:iupac_hyphen-pre-space} \\
- hyphen-post-space & iupac & <dim> & -.03em & Seite \pageref{key:iupac_hyphen-post-space} \\
+ break-space & iupac & <dim> & .01em & Seite~\pageref{key:iupac_break-space} \\
+ bridge-number & iupac & sub/super & sub & Seite~\pageref{key:iupac_bridge-number} \\
+ coord-use-hyphen & iupac & \default{true}/false & true & Seite~\pageref{key:iupac_coord-use-hyphen} \\
+ hyphen-pre-space & iupac & <dim> & .01em & Seite~\pageref{key:iupac_hyphen-pre-space} \\
+ hyphen-post-space & iupac & <dim> & -.03em & Seite~\pageref{key:iupac_hyphen-post-space} \\
\multicolumn{5}{l}{\cmd{DeclareChemLatin}:} \\
- format & latin & <anything> & \lstinline=\itshape= & Seite \pageref{key:latin_format} \\
+ format & latin & <anything> & \lstinline=\itshape= & Seite~\pageref{key:latin_format} \\
\multicolumn{5}{l}{\cmd{pch}, \cmd{mch}, \cmd{fpch}, \cmd{fmch}:} \\
- append & charges & \default{true}/false & false & Seite \pageref{key:charges_append} \\
+ append & charges & \default{true}/false & false & Seite~\pageref{key:charges_append} \\
\multicolumn{5}{l}{acid/base:} \\
- p-style & acid-base & slanted/italics/upright & upright & Seite \pageref{key:acid-base_p-style} \\
+ p-style & acid-base & slanted/italics/upright & upright & Seite~\pageref{key:acid-base_p-style} \\
\multicolumn{5}{l}{\cmd{ox}:} \\
- parse & ox & \default{true}/false & true & Seite \pageref{key:ox_parse} \\
- roman & ox & \default{true}/false & true & Seite \pageref{key:ox_roman} \\
- pos & ox & top/super/side & top & Seite \pageref{key:ox_pos} \\
- explicit-sign & ox & \default{true}/false & false & Seite \pageref{key:ox_explicit-sign} \\
- decimal-marker & ox & comma/point & point & Seite \pageref{key:ox_decimal-marker} \\
+ parse & ox & \default{true}/false & true & Seite~\pageref{key:ox_parse} \\
+ roman & ox & \default{true}/false & true & Seite~\pageref{key:ox_roman} \\
+ pos & ox & top/super/side & top & Seite~\pageref{key:ox_pos} \\
+ explicit-sign & ox & \default{true}/false & false & Seite~\pageref{key:ox_explicit-sign} \\
+ decimal-marker & ox & comma/point & point & Seite~\pageref{key:ox_decimal-marker} \\
\multicolumn{5}{l}{\cmd{OX}, \cmd{redox}:} \\
- dist & redox & <dim> & .6em & Seite \pageref{key:redox_dist} \\
- sep & redox & <dim> & .2em & Seite \pageref{key:redox_sep} \\
+ dist & redox & <dim> & .6em & Seite~\pageref{key:redox_dist} \\
+ sep & redox & <dim> & .2em & Seite~\pageref{key:redox_sep} \\
\multicolumn{5}{l}{\cmd{Enthalpy}, \cmd{Entropy}, \cmd{Gibbs}:} \\
- exponent & & <anything> & \cmd{standardstate} & Seite \pageref{key:none_exponent} \\
- delta & & <anything>/false & & Seite \pageref{key:none_delta} \\
- subscript & & left/right & & Seite \pageref{key:none_subscript} \\
- unit & & <unit> & & Seite \pageref{key:none_unit} \\
+ exponent & & <anything> & \cmd{standardstate} & Seite~\pageref{key:none_exponent} \\
+ delta & & <anything>/false & & Seite~\pageref{key:none_delta} \\
+ subscript & & left/right & & Seite~\pageref{key:none_subscript} \\
+ unit & & <unit> & & Seite~\pageref{key:none_unit} \\
\multicolumn{5}{l}{\cmd{DeclareChemState}, \cmd{RenewChemState}:} \\
- exponent & & <anything> & \cmd{standardstate} & Seite \pageref{key:none_exponent} \\
- delta & & <anything>/false & & Seite \pageref{key:none_delta} \\
- subscript & & <anything> & & Seite \pageref{key:none_subscript} \\
- subscript-left & & \default{true}/false & & Seite \pageref{key:none_subscript-left} \\
+ exponent & & <anything> & \cmd{standardstate} & Seite~\pageref{key:none_exponent} \\
+ delta & & <anything>/false & & Seite~\pageref{key:none_delta} \\
+ subscript & & <anything> & & Seite~\pageref{key:none_subscript} \\
+ subscript-left & & \default{true}/false & & Seite~\pageref{key:none_subscript-left} \\
\multicolumn{5}{l}{\cmd{State}:} \\
- exponent & state & <anything> & \cmd{standardstate} & Seite \pageref{key:state_exponent} \\
- delta & state & <anything>/false & & Seite \pageref{key:state_delta} \\
- subscript-left & state & \default{true}/false & & Seite \pageref{key:state_subscript-left} \\
+ exponent & state & <anything> & \cmd{standardstate} & Seite~\pageref{key:state_exponent} \\
+ delta & state & <anything>/false & & Seite~\pageref{key:state_delta} \\
+ subscript-left & state & \default{true}/false & & Seite~\pageref{key:state_subscript-left} \\
\multicolumn{5}{l}{\cmd{NMR}, \env{spectroscopy}{}:} \\
- unit & nmr & <unit> & \cmd{mega}\cmd{hertz} & Seite \pageref{key:nmr_unit} \\
- nucleus & nmr & \{<num>,<atom symbol>\} & \{1,H\} & Seite \pageref{key:nmr_nucleus} \\
- format & nmr & <anything> & & Seite \pageref{key:nmr_format} \\
- pos-number & nmr & side/sub & side & Seite \pageref{key:nmr_pos-number} \\
- coupling-unit & nmr & <unit> & \lstinline+\hertz+ & Seite \pageref{key:nmr_coupling-unit} \\
- parse & nmr & \default{true}/false & true & Seite \pageref{key:nmr_parse} \\
- delta & nmr & <anything> & & Seite \pageref{key:nmr_delta} \\
- list & nmr & \default{true}/false & false & Seite \pageref{key:nmr_list} \\
- list-setup & nmr & & siehe Text & Seite \pageref{key:nmr_list-setup} \\
- use-equal & nmr & \default{true}/false & false & Seite \pageref{key:nmr_use-equal} \\
+ unit & nmr & <unit> & \cmd{mega}\cmd{hertz} & Seite~\pageref{key:nmr_unit} \\
+ nucleus & nmr & \{<num>,<atom symbol>\} & \{1,H\} & Seite~\pageref{key:nmr_nucleus} \\
+ format & nmr & <anything> & & Seite~\pageref{key:nmr_format} \\
+ pos-number & nmr & side/sub & side & Seite~\pageref{key:nmr_pos-number} \\
+ coupling-unit & nmr & <unit> & \lstinline+\hertz+ & Seite~\pageref{key:nmr_coupling-unit} \\
+ parse & nmr & \default{true}/false & true & Seite~\pageref{key:nmr_parse} \\
+ delta & nmr & <anything> & & Seite~\pageref{key:nmr_delta} \\
+ list & nmr & \default{true}/false & false & Seite~\pageref{key:nmr_list} \\
+ list-setup & nmr & & siehe Text & Seite~\pageref{key:nmr_list-setup} \\
+ use-equal & nmr & \default{true}/false & false & Seite~\pageref{key:nmr_use-equal} \\
\multicolumn{5}{l}{\cmd{DeclareChemReaction}:} \\
- star & & \default{true}/false & false & Seite \pageref{key:none_star} \\
- arg & & \default{true}/false & false & Seite \pageref{key:none_arg} \\
- list-name & reaction & <anything> & List of reactions & Seite \pageref{key:reaction_list-name} \\
- list-entry & reaction & <anything> & Reaction & Seite \pageref{key:reaction_list-entry} \\
+ star & & \default{true}/false & false & Seite~\pageref{key:none_star} \\
+ arg & & \default{true}/false & false & Seite~\pageref{key:none_arg} \\
+ list-name & reaction & <anything> & List of reactions & Seite~\pageref{key:reaction_list-name} \\
+ list-entry & reaction & <anything> & Reaction & Seite~\pageref{key:reaction_list-entry} \\
\multicolumn{5}{l}{\cmd{mhName}:} \\
- align & mhName & <alignment> & \cmd{centering} & Seite \pageref{key:mhName_align} \\
- format & mhName & <commands> & & Seite \pageref{key:mhName_format} \\
- fontsize & mhName & <fontsize> & \cmd{tiny} & Seite \pageref{key:mhName_fontsize} \\
- width & mhName & <dim> & & Seite \pageref{key:mhName_width} \\
+ align & mhName & <alignment> & \cmd{centering} & Seite~\pageref{key:mhName_align} \\
+ format & mhName & <commands> & & Seite~\pageref{key:mhName_format} \\
+ fontsize & mhName & <fontsize> & \cmd{tiny} & Seite~\pageref{key:mhName_fontsize} \\
+ width & mhName & <dim> & & Seite~\pageref{key:mhName_width} \\
\multicolumn{5}{l}{phases:} \\
- pos & phases & side/sub & side & Seite \pageref{key:phases_pos} \\
- space & phases & <dim> & .1333em & Seite \pageref{key:phases_space} \\
+ pos & phases & side/sub & side & Seite~\pageref{key:phases_pos} \\
+ space & phases & <dim> & .1333em & Seite~\pageref{key:phases_space} \\
\multicolumn{5}{l}{\cmd{newman}:} \\
- angle & newman & <angle> & 0 & Seite \pageref{key:newman_angle} \\
- scale & newman & <factor> & 1 & Seite \pageref{key:newman_scale} \\
- ring & newman & <tikz> & & Seite \pageref{key:newman_ring} \\
- atoms & newman & <tikz> & & Seite \pageref{key:newman_atoms} \\
- back-atoms & newman & <tikz> & & Seite \pageref{key:newman_back-atoms} \\
+ angle & newman & <angle> & 0 & Seite~\pageref{key:newman_angle} \\
+ scale & newman & <factor> & 1 & Seite~\pageref{key:newman_scale} \\
+ ring & newman & <tikz> & & Seite~\pageref{key:newman_ring} \\
+ atoms & newman & <tikz> & & Seite~\pageref{key:newman_atoms} \\
+ back-atoms & newman & <tikz> & & Seite~\pageref{key:newman_back-atoms} \\
\multicolumn{5}{l}{\cmd{orbital} \ttfamily <type> = s/p/sp/sp2/sp3:} \\
- phase & orbital/<type> & +/- & + & Seite \pageref{key:orbital_phase} \\
- scale & orbital/<type> & <factor> & 1 & Seite \pageref{key:orbital_scale} \\
- color & orbital/<type> & <color> & black & Seite \pageref{key:orbital_color} \\
- angle & orbital/<type> & <angle> & 90 & Seite \pageref{key:orbital_angle} \\
- half & orbital/p & \default{true}/false & false & Seite \pageref{key:orbital_half} \\
- overlay & orbital & \default{true}/false & false & Seite \pageref{key:orbital_overlay} \\
- opacity & ornital & <num> & 1 & Seite \pageref{key:orbital_opacity}
+ phase & orbital/<type> & +/- & + & Seite~\pageref{key:orbital_phase} \\
+ scale & orbital/<type> & <factor> & 1 & Seite~\pageref{key:orbital_scale} \\
+ color & orbital/<type> & <color> & black & Seite~\pageref{key:orbital_color} \\
+ angle & orbital/<type> & <angle> & 90 & Seite~\pageref{key:orbital_angle} \\
+ half & orbital/p & \default{true}/false & false & Seite~\pageref{key:orbital_half} \\
+ overlay & orbital & \default{true}/false & false & Seite~\pageref{key:orbital_overlay} \\
+ opacity & ornital & <num> & 1 & Seite~\pageref{key:orbital_opacity}
\end{longtable}
\normalsize
\minisec{Anpassungsbefehle}
Eine ganze Reihe von Befehlen wurde vorgestellt, mit denen die Möglichkeiten von \chemmacros erweitert werden können. Sie werden hier noch einmal aufgelistet.
\begin{beschreibung}
- \befehl{DeclareChemArrow} Neuen Pfeil definieren, siehe Seite \pageref{cmd:DeclareChemArrow}.
+ \befehl{DeclareChemArrow} Neuen Pfeil definieren, siehe Seite~\pageref{cmd:DeclareChemArrow}.
\befehl{RenewChemArrow} Bestehende Pfeile verändern.
- \befehl{DeclareChemIUPAC} Neuen IUPAC-Befehl definieren, siehe Seite \pageref{cmd:DeclareChemIUPAC}.
+ \befehl{DeclareChemIUPAC} Neuen IUPAC-Befehl definieren, siehe Seite~\pageref{cmd:DeclareChemIUPAC}.
\befehl{RenewChemIUPAC} IUPAC-Befehl umdefinieren.
- \befehl{DeclareChemLatin} Neue lateinische Ausdrücke definieren, siehe Seite \pageref{cmd:DeclareChemLatin}.
+ \befehl{DeclareChemLatin} Neue lateinische Ausdrücke definieren, siehe Seite~\pageref{cmd:DeclareChemLatin}.
\befehl{RenewChemLatin} Lateinische Ausdrücke umdefinieren.
- \befehl{DeclareChemNMR} Neuen NMR-Befehl definieren, siehe Seite \pageref{cmd:DeclareChemNMR}.
+ \befehl{DeclareChemNMR} Neuen NMR-Befehl definieren, siehe Seite~\pageref{cmd:DeclareChemNMR}.
\befehl{RenewChemNMR} NMR-Befehl umdefinieren.
- \befehl{DeclareChemParticle} Neues Teilchen definieren, siehe Seite \pageref{cmd:DeclareChemParticle}.
+ \befehl{DeclareChemParticle} Neues Teilchen definieren, siehe Seite~\pageref{cmd:DeclareChemParticle}.
\befehl{RenewChemParticle} Teilchen umdefinieren.
- \befehl{DeclareChemPhase} Neuen Phasenbefehl definieren, siehe Seite \pageref{cmd:DeclareChemPhase}.
+ \befehl{DeclareChemPhase} Neuen Phasenbefehl definieren, siehe Seite~\pageref{cmd:DeclareChemPhase}.
\befehl{RenewChemPhase} Phasenbefehl umdefinieren.
- \befehl{DeclareChemReaction} Neue Reaktionsumgebung definieren, siehe Seite \pageref{cmd:DeclareChemReaction}.
- \befehl{DeclareChemState} Neue Zustandsgröße definieren, siehe Seite \pageref{cmd:DeclareChemState}.
+ \befehl{DeclareChemReaction} Neue Reaktionsumgebung definieren, siehe Seite~\pageref{cmd:DeclareChemReaction}.
+ \befehl{DeclareChemState} Neue Zustandsgröße definieren, siehe Seite~\pageref{cmd:DeclareChemState}.
\befehl{RenewChemState} Zustandsgröße umdefinieren.
\end{beschreibung}
\secidx*{Übersicht über die Optionen (chemmacros)}[Uebersicht ueber die Optionen]
@@ -2663,7 +2708,7 @@ Vielen Dank an alle, die mir schon Feedback zukommen ließen, vor allem (in alph
\item Christoph Schäfer
\end{itemize}
-\printbibliography[title=Quellen]
+{\EmbracOff\printbibliography[title=Quellen]}
{\catcode`\^=11 \catcode`\#=11 \catcode`\|=11
\printindex}
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf
index 3206d822ad0..1cc0c13b01e 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.pdf
Binary files differ
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex
index 42513b3fc01..f6754f5c54a 100644
--- a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_en.tex
@@ -1,3 +1,9 @@
+% arara: xelatex
+% arara: biber
+% arara: xelatex
+% arara: xelatex
+% arara: makeindex: { sort: true, style: chemmacros_en.ist }
+% arara: xelatex
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% -----------------------------------------------------------------------------
% - the CHEMMACROS bundle
@@ -5,7 +11,7 @@
% - macros and commands for chemists
% -----------------------------------------------------------------------------
% - Clemens Niederberger
-% - 2012/05/18
+% -
% -----------------------------------------------------------------------------
% - https://bitbucket.org/cgnieder/chemmacros/
% - contact@mychemistry.eu
@@ -36,8 +42,8 @@
% b) you need the following compilation order:
% > xelatex chemmacros_en (2 or probably 3 times)
% > biber chemmacros_en
-% > makeindex -sl index_en.ist chemmacros_en.idx
-% > xelatex chemmacros_en
+% > makeindex -sl chemmacros_en.ist chemmacros_en.idx
+% > xelatex chemmacros_en (2 times)
%
\documentclass[DIV11,toc=index,toc=bib]{cnpkgdoc}
\docsetup{
@@ -52,44 +58,66 @@
\usepackage{chemfig,chemstyle,upgreek,textgreek,booktabs,cancel}
\usepackage[version=3]{mhchem}
\usepackage{hologo}
+\usepackage{fnpct}
+\usepackage[biblatex]{embrac}
+\ChangeEmph{[}[,.02em]{]}[.055em,-.08em]
+\ChangeEmph{(}[-.01em,.04em]{)}[.04em,-.05em]
+
+\usepackage{acro}
+\DeclareAcronym{ghs}{GHS}{Globally Harmonized System of Classification and
+ Labelling of Chemicals}
+\DeclareAcronym{eu}{EU}{European Union}
+\DeclareAcronym{iupac}{IUPAC}{International Union of Pure and Applied Chemistry}
\chemsetup[option]{synchronize}
\colorlet{chemformula}{darkgray}
-\begin{filecontents}{index_en.ist}
- preamble "\\begin{theindex}\n Section titles are indicated \\textbf{bold}, packages \\textsf{sans serif}, commands \\code{\\textbackslash\\textcolor{code}{brown}}, options \\textcolor{key}{\\code{green}} and modules (only \\chemmacros) \\textcolor{module}{\\code{red}}.\\newline\n\n"
+\usepackage{filecontents}
+
+\begin{filecontents*}{\jobname.ist}
+ preamble "\\begin{theindex}\n Section titles are indicated \\textbf{bold},
+ packages \\textsf{sans serif}, commands \\code{\\textbackslash\\textcolor{code}{brown}},
+ options \\textcolor{key}{\\code{green}} and modules (only \\chemmacros)
+ \\textcolor{module}{\\code{red}}.\\newline\n\n"
heading_prefix "{\\bfseries "
heading_suffix "\\hfil}\\nopagebreak\n"
headings_flag 1
- delim_0 "\\dotfill "
- delim_1 "\\dotfill "
- delim_2 "\\dotfill "
+ delim_0 "\\ \\dotfill\\ "
+ delim_1 "\\ \\dotfill\\ "
+ delim_2 "\\ \\dotfill\\ "
delim_r "\\textendash"
suffix_2p "\\nohyperpage{\\,f.}"
suffix_3p "\\nohyperpage{\\,ff.}"
-\end{filecontents}
+\end{filecontents*}
\usepackage[backend=biber,style=alphabetic,maxbibnames=20]{biblatex}
\addbibresource{\jobname.bib}
-\begin{filecontents}{\jobname.bib}
+\begin{filecontents*}{\jobname.bib}
@book{iupac:greenbook,
- author = {E. Richard Cohan and Tomislav Cvita\v{s} and Jeremy G. Frey and Bertil Holmström and Kozo Kuchitsu and Roberto Marquardt and Ian Mills and Franco Pavese and Martin Quack and Jürgen Stohner and Herbert L. Strauss and Michio Takami and Anders J Thor},
- title = {“Quantities, Symbols and Units in Physical Chemistry”, \IUPAC Green Book},
+ author = {E. Richard Cohan and Tomislav Cvita\v{s} and Jeremy G. Frey and
+ Bertil Holmström and Kozo Kuchitsu and Roberto Marquardt and Ian Mills and
+ Franco Pavese and Martin Quack and Jürgen Stohner and Herbert L. Strauss and
+ Michio Takami and Anders J Thor},
+ title = {“Quantities, Symbols and Units in Physical Chemistry”, \acs{iupac}
+ Green Book},
edition = {3rd Edition. 2nd Printing},
year = {2008},
- publisher = {\IUPAC \&\ RSC Publishing, Cambridge}
+ publisher = {\acs{iupac} \&\ RSC Publishing, Cambridge}
}
@book{iupac:redbook,
- author = {Neil G. Connelly and Ture Damhus and Richard M. Hartshorn and Alan T. Hutton},
- title = {“Nomenclature of Inorganic Chemistry”, \IUPAC Red Book},
+ author = {Neil G. Connelly and Ture Damhus and Richard M. Hartshorn and
+ Alan T. Hutton},
+ title = {“Nomenclature of Inorganic Chemistry”, \acs{iupac} Red Book},
year = {2005},
- publisher = { \IUPAC \&\ RSC Publishing, Cambridge},
+ publisher = { \acs{iupac} \&\ RSC Publishing, Cambridge},
isbn = {0-85404-438-8}
}
@misc{eu:ghsystem_regulation,
author = {{The European Parliament and The Council of the European Union}},
title = {Regulation (EC) No 1272/2008 of the European Parliament and of the Council},
- subtitle = {on classification, labelling and packaging of substances and mixtures, amending and repealing Directives 67/548/EEC and 1999/45/EC, and amending Regulation (EC) No 1907/2006},
+ subtitle = {on classification, labelling and packaging of substances and mixtures,
+ amending and repealing Directives 67/548/EEC and 1999/45/EC, and amending
+ Regulation (EC) No 1907/2006},
journal = {Official Journal of the European Union},
date = {2008-12-16}
}
@@ -100,7 +128,7 @@
urldate = {2012-03-20},
date = {2012-03-20}
}
-\end{filecontents}
+\end{filecontents*}
\DeclareInstance{xfrac}{chemformula-text-frac}{text}
{
@@ -118,7 +146,6 @@
\newcommand*\Chemformula{{\fontspec[Color=cnpkgblue,Scale=1.2]{Linux Biolinum Shadow O}chemformula}}
\newcommand*\Ghsystem{{\fontspec[Color=cnpkgblue,Scale=1.2]{Linux Biolinum Shadow O}ghsystem}}
-\newcommand*\IUPAC{\mbox{IUPAC}\xspace}
\renewcommand*\AmS{\hologo{AmS}}
\newcommand*\pdfTeX{\hologo{pdfTeX}}
\newcommand*\LuaTeX{\hologo{LuaTeX}}
@@ -157,64 +184,126 @@
\part{Preliminaries}\secidx{PRELIMINARIES}
\section{Licence, Requirements and README}
-The \chemmacros bundle underlies the \LaTeX\ project public license (lppl) version 1.3 or later (\url{http://www.latex-project.org/lppl.txt}) and has the status “maintained”.
-
-The \chemmacros bundle needs the bundles \paket{l3kernel} and \paket{l3packages}. It also needs the packages \paket{siunitx}, \paket{mathtools}, \paket{bm}, \paket{nicefrac} and \paket{environ} as well as \paket*{tikz}\footnote{CTAN: \href{http://www.ctan.org/pkg/pgf/}{pgf}} and the \TikZ libraries \code{calc} and \code{arrows}.
-
-Package option \key{bpchem} (section \ref{sec:optionen}) needs the package \paket{bpchem}, package option \key{xspace} needs the package \paket{xspace} and package option \key{method}{mhchem} needs the package \paket{mhchem}.
-
-With v3.0 the \chemmacros package has been bundled with the new packages \chemformula and \ghsystem. \chemformula provides an alternative to \paket{mhchem}. This leads to some internal changes in \chemmacros. On the same time the documentation has been redesigned.
-
-You might remember that \chemmacros' options all belong to different modules, see section \ref{sec:setup} for further information. These are typeset in the left margin when the option is first mentioned. In section \ref{sec:overview} all options and the module the belong to are listed. Throughout the document options are typeset \textcolor{key}{\code{green}} and modules \textcolor{module}{\code{red}}.
-
-The package \ghsystem needs the packages \chemmacros, \paket{tabu}, \paket{longtable}, \paket{ifpdf} and \paket{graphicx}. \ghsystem has no own package options but passes all options on to \chemmacros.
-
-\achtung{There are some deprecated commands and options which are not explained in the manual any more but still exist to ensure backwards compatibility. These commands issue a warning. They may be dropped some time in the future.}
+The \chemmacros bundle underlies the \LaTeX\ project public license (lppl)
+version 1.3 or later (\url{http://www.latex-project.org/lppl.txt}) and has the
+status ``maintained.''
+
+The \chemmacros bundle needs the bundles \paket{l3kernel} and \paket{l3packages}.
+It also needs the packages \paket{siunitx}, \paket{mathtools}, \paket{bm},
+\paket{nicefrac} and \paket{environ} as well as \paket*{tikz}\footnote{CTAN:
+\href{http://www.ctan.org/pkg/pgf/}{pgf}} and the \TikZ libraries \code{calc}
+and \code{arrows}.
+
+Package option \key{bpchem} (section~\ref{sec:optionen}) needs the package
+\paket{bpchem}, package option \key{xspace} needs the package \paket{xspace} and
+package option \key{method}{mhchem} needs the package \paket{mhchem}.
+
+With v3.0 the \chemmacros package has been bundled with the new packages
+\chemformula and \ghsystem. \chemformula provides an alternative to \paket{mhchem}.
+This leads to some internal changes in \chemmacros. On the same time the
+documentation has been redesigned.
+
+You might remember that \chemmacros' options all belong to different modules, see
+section~\ref{sec:setup} for further information. These are typeset in the left
+margin when the option is first mentioned. In section~\ref{sec:overview} all options
+and the module they belong to are listed. Throughout the document options are
+typeset \textcolor{key}{\code{green}} and modules \textcolor{module}{\code{red}}.
+
+The package \ghsystem needs the packages \chemmacros, \paket{tabu}, \paket{longtable},
+\paket{ifpdf} and \paket{graphicx}. \ghsystem has no own package options but
+passes all options on to \chemmacros.
+
+\achtung{There are some deprecated commands and options which are not explained
+in the manual any more but still exist to ensure backwards compatibility. These
+commands issue a warning. They may be dropped some time in the future.}
\section{Motivation and Background}
-\chemmacros started some years ago as a growing list of custom macros that I frequently used. I cannot completely recall when and why I decided to release them as a package. Well \textendash\ here we go and you might find it useful, too, I hope.
-
-Both the macros and their functionality have changed over time and quite a lot have been added. Many things have been unified and what's probably most important: many possibilities to customize have been added, too.
-
-Probably every chemist using \LaTeXe\ is aware of the great \paket{mhchem} package by Martin Hensel. There have always been some difficulties intertwining it with \chemmacros, though. Also, some other minor points in \paket{mhchem} always bothered me, but they hardly seemed enough for a new package. They weren't even enough for a feature request to the \paket{mhchem} author. The challenge and the fun of creating a new package and the wish for a highly customizable alternative led to \chemformula after all.
-
-\chemformula works very similar to \paket{mhchem} but is more strict as to how compounds, stoichiometric factors and arrows are input. In the same time \chemformula offers possibilities to customize the output that \paket{mhchem} does not. Since \chemformula is meant as an \emph{alternative} to \paket{mhchem} \chemmacros offers a package option allowing you to choose which one of the two is used. The default however is \chemmacros own way: \chemformula.
-
-As a chemist you are probably aware of the fact that the \textsc{United Nations} have developed the \enquote{\textbf{G}lobally \textbf{H}armonized \textbf{S}ystem of Classification and Labelling of Chemicals} (GHS) as a global replacement for the various different systems in different countries. While it has not been implemented by all countries yet \cite{unece:ghsystem_implementation}, it as only a matter of time.
-
-The package \ghsystem now enables you to typeset all the hazard and precautionary statements and pictograms in a very easy way. The statements are taken from EU regulation 1272/2008 \cite{eu:ghsystem_regulation}.
+\chemmacros started some years ago as a growing list of custom macros that I
+frequently used. I cannot completely recall when and why I decided to release them
+as a package. Well \textendash\ here we go and you might find it useful, too, I
+hope.
+
+Both the macros and their functionality have changed over time and quite a lot
+have been added. Many things have been unified and what's probably most important:
+many possibilities to customize have been added, too.
+
+Probably every chemist using \LaTeXe\ is aware of the great \paket{mhchem} package
+by Martin Hensel. There have always been some difficulties intertwining it with
+\chemmacros, though. Also, some other minor points in \paket{mhchem} always
+bothered me, but they hardly seemed enough for a new package. They weren't even
+enough for a feature request to the \paket{mhchem} author. The challenge and the
+fun of creating a new package and the wish for a highly customizable alternative
+led to \chemformula after all.
+
+\chemformula works very similar to \paket{mhchem} but is more strict as to how
+compounds, stoichiometric factors and arrows are input. In the same time
+\chemformula offers possibilities to customize the output that \paket{mhchem} does
+not. Since \chemformula is meant as an \emph{alternative} to \paket{mhchem}
+\chemmacros offers a package option allowing you to choose which one of the two
+is used. The default however is \chemmacros own way: \chemformula.
+
+As a chemist you are probably aware of the fact that the \textsc{United Nations}
+have developed the \ac{ghs} as a global replacement for the various different
+systems in different countries. While it has not been implemented by all countries
+yet~\cite{unece:ghsystem_implementation}, it is only a matter of time.
+
+The package \ghsystem now enables you to typeset all the hazard and precautionary
+statements and pictograms in a very easy way. The statements are taken from \acs{eu}
+regulation 1272/2008~\cite{eu:ghsystem_regulation}.
There are four points I hope I have achieved with this bundle:
\begin{itemize}
\item intuitive usage as far as the syntax of the commands is concerned
- \item the commands shall not only make typesetting easier and faster but also the document source more readable with respect to semantics (\lstinline=\ortho-dichlorobenzene= is easier to read and understand than \lstinline=\textsl{o}-dichlorobenzene=)
- \item as much customizability as I could think of so every user can adapt the commands to his or her own wishes
- \item \IUPAC compliant default settings
+ \item the commands shall not only make typesetting easier and faster but also the
+ document source more readable with respect to semantics
+ (\code{\cmd{ortho}-dichlorobenzene} is easier to read and understand than
+ \code{\cmd*{textsl}{o}-dichlorobenzene})
+ \item as much customizability as I could think of so every user can adapt the
+ commands to his or her own wishes
+ \item default settings compliant with the recommendations of the \acf{iupac}.
\end{itemize}
-Especially the last point needed some pushing from users to get things right in many places. If you find anything not compliant with \IUPAC recommendations\footnote{This does not convern the \cmd{ox} command. The \IUPAC version is \cmd[oxa]{ox*}.} I would welcome an email very much!
-
-In a package this large with older parts and rather new parts (which have to be considered being in beta state) it is unavoidable that there are flaws and bugs. I am very keen on correcting and improving this package so please: if you find anything that bothers you and may it be just so small please send me a short email and I'll see what I can do. I would especially like feedback on \chemformula (see part \ref{part:chemformula}) and \ghsystem (see part \ref{part:ghsystem}) but also welcome feedback on every other part of this bundle.
+Especially the last point needed some pushing from users to get things right in
+many places. If you find anything not compliant with \ac{iupac} recommendations%
+\footnote{This does not concern the \cmd{ox} command. The \ac{iupac} version is
+\cmd{ox}*.} I would welcome an email very much!
+
+In a package this large with older parts and rather new parts (which have to be
+considered being in beta state) it is unavoidable that there are flaws and bugs.
+I am very keen on correcting and improving this package, so please: if you find
+anything that bothers you and may it be just so small please send me a short email
+and I'll see what I can do. I would especially like feedback on \chemformula (see
+part~\ref{part:chemformula}) and \ghsystem (see part~\ref{part:ghsystem}) but also
+welcome feedback on every other part of this bundle.
\section{Installation, Loading the Bundle}\secidx{Loading the Bundle}\secidx{Installation}
-The bundle comes with three style files\footnote{Those ending \code{sty}.}, a directory called \code{language/} containing the language-definition files for GHS (ending \code{def}), and a directory \code{pictures/} containing \code{eps}, \code{jpg} and \code{png} files (the GHS pictogramms). If you install the bundle manually \emph{please make sure to place the directories \code{language/} and \code{pictures/} in the \emph{same} directory as the style files}.
+The bundle comes with three style files\footnote{Those ending \code{sty}.}, a
+directory called \code{language/} containing the language-definition files for
+\ac{ghs} (ending \code{def}), and a directory \code{pictures/} containing \code{eps},
+\code{pdf}, \code{jpg} and \code{png} files (the \ac{ghs} pictograms). If you install
+the bundle manually \emph{please make sure to place the directories \code{language/}
+and \code{pictures/} in the \emph{same} directory as the style files}.
Loading \chemmacros with
\begin{beispiel}[code only]
\usepackage{chemmacros} % `chemmacros', `chemformula' and `ghsystem' are loaded
\end{beispiel}
-will also load \chemformula and \ghsystem. However, you can prevent \chemmacros from loading \ghsystem:
+will also load \chemformula and \ghsystem. However, you can prevent \chemmacros
+from loading \ghsystem:
\begin{beispiel}[code only]
\usepackage[ghsystem=false]{chemmacros} % `chemmacros' and `chemformula' are loaded
\end{beispiel}
-Loading \chemformula or \ghsystem explicitly is possible and will also load \chemmacros if it hasn't been loaded yet, and will therefore implicitly load the other package, too.
+Loading \chemformula or \ghsystem explicitly is possible and will also load
+\chemmacros if it hasn't been loaded yet, and will therefore implicitly load the
+other package, too.
\begin{beispiel}[code only]
\usepackage{chemformula} % `chemmacros', `chemformula' and `ghsystem' are loaded
or
\usepackage[ghsystem=false]{chemformula} % `chemmacros' and `chemformula' are loaded
\end{beispiel}
-However, it is recommended to simply use \lstinline=\usepackage{chemmacros}= and setup the required options with \lstinline=\chemsetup= (also see section \ref{sec:setup}).
+However, it is recommended to simply use \lstinline=\usepackage{chemmacros}= and
+setup the required options with \lstinline=\chemsetup= (also see section~\ref{sec:setup}).
\secidx*{Installation}\secidx*{Loading the Bundle}
\section{Package Options}\label{sec:optionen}\secidx{Package Options}
@@ -222,48 +311,90 @@ However, it is recommended to simply use \lstinline=\usepackage{chemmacros}= and
\begin{beispiel}[code only]
\usepackage[option1 = <value1>, option2 = <value2>]{chemmacros}
\end{beispiel}
-Some also can be used without value (\lstinline+\usepackage[option1]{chemmacros}+), which means that the \default{underlined} value is used.
+Some also can be used without value (\lstinline+\usepackage[option1]{chemmacros}+),
+which means that the \default{underlined} value is used.
-Both \chemformula and \ghsystem don't have package options of their own. If you load them explicitly you can give them \chemmacros' options instead and they will pass them on to \chemmacros.
+Both \chemformula and \ghsystem don't have package options of their own. If you
+load them explicitly you can give them \chemmacros' options instead and they will
+pass them on to \chemmacros.
\begin{beschreibung}
% bpchem
- \option[option]{bpchem}{\default{true}/false} This option loads the package \paket{bpchem} and adjusts the layout of the \cmd{NMR} command to the \paket{bpchem} commands \lstinline+\HNMR+ and \lstinline+\CNMR+. (default = \code{false})
+ \option[option]{bpchem}{\default{true}/false} This option loads the package
+ \paket{bpchem} and adjusts the layout of the \cmd{NMR} command to the \paket{bpchem}
+ commands \lstinline+\HNMR+ and \lstinline+\CNMR+. (default = \code{false})
% circled
- \option[option]{circled}{\default{formal}/all/none} \chemmacros uses two different kinds of charges which indicate the usage of real ($+/-$) and formal (\fplus/\fminus) charges. The option \code{formal} distinguishes between them, option \code{none} displays them all without circle, option \code{all} circles all (default = \code{formal})
+ \option[option]{circled}{\default{formal}/all/none} \chemmacros uses two different
+ kinds of charges which indicate the usage of real ($+/-$) and formal (\fplus/\fminus)
+ charges. The option \code{formal} distinguishes between them, option \code{none}
+ displays them all without circle, option \code{all} circles all (default = \code{formal})
% circletype
- \option[option]{circletype}{\default{chem}/math} This option switches between two kinds of circled charge symbols: \cmd{fplus} \fplus\ and \lstinline+$\oplus$+ $\oplus$. (default = \code{chem})
+ \option[option]{circletype}{\default{chem}/math} This option switches between
+ two kinds of circled charge symbols: \cmd{fplus} \fplus\ and \lstinline+$\oplus$+
+ $\oplus$. (default = \code{chem})
% cmversion
- \option[option]{cmversion}{1/2/bundle} This option restores the old definitions of some commands, so documents set with v1.* will still compile correctly. (default = \code{bundle}). Actually \code{2} and \code{bundle} are only aliases. \emph{This option can only be chosen in the preamble}.
+ \option[option]{cmversion}{1/2/bundle} This option restores the old definitions
+ of some commands, so documents set with v1.* will still compile correctly.
+ (default = \code{bundle}). Actually \code{2} and \code{bundle} are only aliases.
+ \emph{This option can only be chosen in the preamble}.
% ghsystem
- \option[option]{ghsystem}{\default{true}/false} Disable the use of the \ghsystem package. Setting \key{ghs}{false} will prevent \chemmacros from loading \ghsystem. (default = \code{true})
+ \option[option]{ghsystem}{\default{true}/false} Disable the use of the \ghsystem
+ package. Setting \key{ghs}{false} will prevent \chemmacros from loading \ghsystem.
+ (default = \code{true})
% greek
- \option[option]{greek}{math/textgreek/\default{upgreek}} This Options determines how the letters \cmd{Chemalpha} and friends are typeset. See page \pageref{desc:upgreek} for more information. \emph{This option can only be chosen in the preamble}. (default = \code{upgreek})
+ \option[option]{greek}{math/textgreek/\default{upgreek}} This Options determines
+ how the letters \cmd{Chemalpha} and friends are typeset. See page~\pageref{desc:upgreek}
+ for more information. \emph{This option can only be chosen in the preamble}.
+ (default = \code{upgreek})
% iupac
- \option[option]{iupac}{auto/restricted/strict} Take care of how iupac naming commands are defined, see page \pageref{desc:iupac} (default = \code{auto})
+ \option[option]{iupac}{auto/restricted/strict} Take care of how \ac{iupac} naming
+ commands are defined, see page~\pageref{desc:iupac} (default = \code{auto})
% language
- \option[option]{language}{american/british/english/french/german/italian/ngerman} Load language specific options. \code{english}, \code{american} and \code{british} are aliases, as are \code{german} and \code{ngerman}. \emph{This option can only be chosen in the preamble}. (default = \code{english}).
+ \option[option]{language}{american/british/english/french/german/italian/ngerman}
+ Load language specific options. \code{english}, \code{american} and \code{british}
+ are aliases, as are \code{german} and \code{ngerman}. \emph{This option can only
+ be chosen in the preamble}. (default = \code{english}).
% method
- \option[option]{method}{\default{chemformula}/mhchem} You can choose the method which \chemmacros will use for the reaction environments (see section \ref{sec:reactions}) and the typesetting of the particles (see section \ref{sec:teilchen}). (default = \code{chemformula}). \emph{This option can only be chosen in the preamble}.
+ \option[option]{method}{\default{chemformula}/mhchem} You can choose the method
+ which \chemmacros will use for the reaction environments (see section~\ref{sec:reactions})
+ and the typesetting of the particles (see section~\ref{sec:teilchen}). (default
+ = \code{chemformula}). \emph{This option can only be chosen in the preamble}.
% Nu
- \option[option]{Nu}{\default{chemmacros}/mathspec} The package \paket{mathspec} also defines a macro \cmd{Nu}. This option chooses which definition holds, see page \pageref{Nu}. (default = \code{chemmacros}). \emph{This option can only be chosen in the preamble}.
+ \option[option]{Nu}{\default{chemmacros}/mathspec} The package \paket{mathspec}
+ also defines a macro \cmd{Nu}. This option chooses which definition holds, see
+ page~\pageref{Nu}. (default = \code{chemmacros}). \emph{This option can only
+ be chosen in the preamble}.
% strict
- \option[option]{strict}{\default{true}/false} Setting \key{strict}{true} will turn all warning messages into erros messages. (default = \code{false})
+ \option[option]{strict}{\default{true}/false} Setting \key{strict}{true} will
+ turn all warning messages into erros messages. (default = \code{false})
% synchronize
- \option[option]{synchronize}{\default{true}/false} The setting \code{true} will tell \chemmacros the adapt the font settings of \chemformula if that method has been chosen (default = \code{false}). In order to demonstrate this feature this document is set with \key{synchronize}{true} and the \chemformula setting \lstinline+\chemsetup[chemformula]{font-spec={[Color=darkgray]Latin Modern Sans}}+.
+ \option[option]{synchronize}{\default{true}/false} The setting \code{true} will
+ tell \chemmacros the adapt the font settings of \chemformula if that method has
+ been chosen (default = \code{false}). In order to demonstrate this feature this
+ document is set with \key{synchronize}{true} and the \chemformula setting
+ \lstinline+\chemsetup[chemformula]{font-spec={[Color=darkgray]Latin Modern Sans}}+.
% xspace
- \option[option]{xspace}{\default{true}/false} With this option most commands are defined with a \lstinline+\xspace+. (default = \code{true})
+ \option[option]{xspace}{\default{true}/false} With this option most commands are
+ defined with a \lstinline+\xspace+. (default = \code{true})
\end{beschreibung}
\secidx*{Package Options}
\section{Setup}\label{sec:setup}\secidx{Setup}
-Various of \chemmacros', \chemformula's and \ghsystem's commands have key/value pairs with which they can be customized. Most times they can be used as (optional) argument of the commands themselves. They also can most times be used with the \cmd{chemsetup} command.
+Various of \chemmacros', \chemformula's and \ghsystem's commands have key/value
+pairs with which they can be customized. Most times they can be used as (optional)
+argument of the commands themselves. They also can most times be used with the
+\cmd{chemsetup} command.
\begin{beschreibung}
\Befehl{chemsetup}[<module>]{<key> = <value>} or
\Befehl{chemsetup}{<module>/<key> = <value>}
\end{beschreibung}
-The keys each belong to a module, which defines for which commands they are intended for. If a key is presented, you'll see the module to which it belongs in the left margin. You have two ways to use keys with the \cmd{chemsetup}, as you can see above.
+The keys each belong to a module, which defines for which commands they are
+intended for. If a key is presented, you'll see the module to which it belongs
+in the left margin. You have two ways to use keys with the \cmd{chemsetup}, as
+you can see above.
-The package options can also be seen as keys belonging to the module \textcolor{module}{\code{option}}. This means they can also be used with the \cmd{chemsetup} command (except for the option \key[option]{version}{1/2/3}).
+The package options can also be seen as keys belonging to the module
+\textcolor{module}{\code{option}}. This means they can also be used with the
+\cmd{chemsetup} command (except for the option \key[option]{version}{1/2/3}).
\begin{beispiel}
\chemsetup[option]{circled=none}\mch\ \pch\ \fmch\ \fpch\ \el\ \prt \\
\chemsetup[option]{circled=formal}\mch\ \pch\ \fmch\ \fpch\ \el\ \prt \\
@@ -273,7 +404,8 @@ The package options can also be seen as keys belonging to the module \textcolor{
\end{beispiel}
Keys \emph{not} belonging to a module \emph{cannot} be used with \cmd{chemsetup}!
-All options of \chemformula belong to the module \textcolor{module}{\code{chemformula}} and all of \ghsystem's options belong to the module \textcolor{module}{\code{ghs}}.
+All options of \chemformula belong to the module \textcolor{module}{\code{chemformula}}
+and all of \ghsystem's options belong to the module \textcolor{module}{\code{ghs}}.
\secidx*{Setup}
\section{Language Settings}\label{sec:languages}\secidx{Language Settings}
@@ -282,24 +414,27 @@ By choosing the option
\begin{beispiel}[code only]
\chemsetup[option]{language=<language>}
\end{beispiel}
-you can set one of these languages: \code{american/british/english/french/german/italian/ngerman}. The languages \code{american/british/english} are aliases, as are \code{german/ngerman}.
+you can set one of these languages: \code{american/british/english/french/german/italian/ngerman}.
+The languages \code{american/british/english} are aliases, as are \code{german/ngerman}.
These translate
\begin{itemize}
\item The header of the list of reactions.
\item The beginning of the entries in the list of reactions.
- \item The H- and P-statements of the GHS.
+ \item The H- and P-statements of the \ac{ghs}.
\end{itemize}
-\achtung{Please note, that the GHS statements are not provided in all languages, see also section \ref{sec:ghsystem_language}.}
+\achtung{Please note, that the \ac{ghs} statements are not provided in all languages,
+see also section~\ref{sec:ghsystem_language}.}
\subsection{Specialties}
\subsubsection{German}
-If you choose \code{german/ngerman} the phase commands \cmd{sld} and \cmd{lqd} and the command \cmd{pKa} are translated.
+If you choose \code{german/ngerman} the phase commands \cmd{sld} and \cmd{lqd}
+and the command \cmd{pKa} are translated.
\subsubsection{Italian}
\DeclareChemIUPAC{\ter}{\textit{ter}}\DeclareChemIUPAC{\sin}{\textit{sin}}%
-Choosing the language \code{italian} defines two additional IUPAC commands:
+Choosing the language \code{italian} defines two additional \ac{iupac} commands:
\begin{beschreibung}
\befehl{ter} \iupac{\ter}
\befehl{sin} \iupac{\sin}
@@ -309,24 +444,42 @@ Choosing the language \code{italian} defines two additional IUPAC commands:
\section{News}\secidx{News}
\subsection{Version 3.3}
\begin{itemize}
- \item With v3.3 there is the environment \env{experimental}{}, see section \ref{sec:spektroskopie}. It can be used together with some new options and commands for the consistent typesetting of experimental data.
- \item The environment \env{reaction}{} and its kin can now cope with \lstinline+\label+, \lstinline+\ref+ and \lstinline+\intertext+, see section \ref{sec:reactions}.
- \item The package options \key{german} and \key{ngerman} are deprecated, the replacement is \key{language}, see page \pageref{key:option_language} and section \ref{sec:languages} from page \pageref{sec:languages}.
+ \item With v3.3 there is the environment \env{experimental}{}, see
+ section~\ref{sec:spektroskopie}. It can be used together with some new options
+ and commands for the consistent typesetting of experimental data.
+ \item The environment \env{reaction}{} and its kin can now cope with \lstinline+\label+,
+ \lstinline+\ref+ and \lstinline+\intertext+, see section~\ref{sec:reactions}.
+ \item The package options \key{german} and \key{ngerman} are deprecated, the
+ replacement is \key{language}, see page~\pageref{key:option_language} and
+ section~\ref{sec:languages} from page~\pageref{sec:languages}.
\item The package option \key{upgreek} got renamed into \key{greek}.
- \item Some additional \code{\textbackslash\textcolor{code}{Chem<greekletter>}}-commands are provided, see section \ref{sec:teilchen}.
+ \item Some additional \code{\textbackslash\textcolor{code}{Chem<greekletter>}}-commands
+ are provided, see section~\ref{sec:teilchen}.
\end{itemize}
\subsection{Version 3.3a}
\begin{itemize}
- \item The IUPAC commands \cmd{hapto} and \cmd{bridge} are new.
+ \item The \ac{iupac} commands \cmd{hapto} and \cmd{bridge} are new.
\item The H and P statements now are available in Italian.
\end{itemize}
+
+\subsection{Version 3.3d}%TODO Jonas
+\begin{itemize}
+ \item \code{pdf} versions of the \ac{ghs} pictograms.
+ \item New default values for bond length and bond offset, see
+ page~\pageref{ssec:compounds:customization}.
+ \item New option \key{bond-style}, see page~\pageref{ssec:compounds:customization}.
+ \item new option \key{cip-kern}, see page~\pageref{par:cip}.
+\end{itemize}
\secidx*{News}\secidx*{PRELIMINARIES}
\part{\texorpdfstring{\Chemmacros}{chemmacros}}\secidx{CHEMMACROS}\label{part:chemmacros}
\section{Particles, Ions and Symbols}\label{sec:teilchen}\secidx{Particles, Ions and Symbols}
\subsection{Predefined}\secidx[predefined]{Particles, Ions and Symbols}
-\chemmacros defines some simple macros for displaying often needed particles and symbols. Please note, that they're displayed differently depending on the package options used, see section \ref{sec:optionen}. These commands can be used in text as well as in math mode.
+\chemmacros defines some simple macros for displaying often needed particles and
+symbols. Please note, that they're displayed differently depending on the package
+options used, see section~\ref{sec:optionen}. These commands can be used in text
+as well as in math mode.
\begin{beschreibung}
\befehl{Hpl} \Hpl (proton)
\befehl{Hyd} \Hyd (hydroxide)
@@ -335,13 +488,17 @@ Choosing the language \code{italian} defines two additional IUPAC commands:
\befehl{el} \el (electron)
\befehl{prt} \prt (proton)
\befehl{ntr} \ntr (neutron)
- \befehl{Nu} \Nu (nucleophile). The package \paket{mathspec} also defines a macro \cmd{Nu}. If you chose package option \key[option]{Nu}{mathspec} \chemmacros defines \cmd{Nuc} instead\label{Nu}.
+ \befehl{Nu} \Nu (nucleophile). The package \paket{mathspec} also defines a macro
+ \cmd{Nu}. If you chose package option \key[option]{Nu}{mathspec} \chemmacros
+ defines \cmd{Nuc} instead\label{Nu}.
\befehl{El} \El (electrophile)
\befehl{ba} \ba (base)
\befehl{fplus} \fplus
\befehl{fminus} \fminus
\befehl{transitionstatesymbol} \transitionstatesymbol
- \befehl{standardstate} \standardstate. This symbol is only provided by \chemmacros, if the package \paket{chemstyle} is not loaded; the idea is borrowed from there\footnote{many thanks to the package author \href{http://www.texdev.net/}{Joseph Wright}.}.
+ \befehl{standardstate} \standardstate. This symbol is only provided by \chemmacros,
+ if the package \paket{chemstyle} is not loaded; the idea is borrowed from
+ there\footnote{many thanks to the package author \href{http://www.texdev.net/}{Joseph Wright}.}.
\befehl{Chemalpha} \Chemalpha
\befehl{Chembeta} \Chembeta
\befehl{Chemgamma} \Chemgamma
@@ -360,11 +517,13 @@ Choosing the language \code{italian} defines two additional IUPAC commands:
\achtung{The command \cmd{Rad} has been dropped!}
-The two particles \cmd{Nu} and \cmd{ba} can be modified. To do that you use the option
+The two particles \cmd{Nu} and \cmd{ba} can be modified. To do that you use the
+option
\begin{beschreibung}
\Option[particle]{elpair}{false/\default{dots}/dash}.
\end{beschreibung}
-It only has any effect, if the package \paket{chemfig} is loaded, since it uses it's command \lstinline+\Lewis+.
+It only has any effect, if the package \paket{chemfig} is loaded, since it uses
+it's command \lstinline+\Lewis+.
\begin{beispiel}
% needs package `chemfig'
\ba[elpair] \Nu[elpair=dash]
@@ -373,7 +532,13 @@ It only has any effect, if the package \paket{chemfig} is loaded, since it uses
\ba \Nu
\end{beispiel}
-\label{desc:upgreek}The greek letters aren't newly defined symbols but are defined differently depending on the packages you've loaded. The default definition is the corresponding math letter. If you have loaded the \paket{textgreek} package the letters are taken from there, and if you have loaded the package \paket{upgreek} the macros of that package are used. This documentation uses \paket{upgreek} for instance. If you load both \paket{upgreek} and \paket{textgreek} the letters from \paket{upgreek} are used.
+\label{desc:upgreek}The greek letters aren't newly defined symbols but are
+defined differently depending on the packages you've loaded. The default definition
+is the corresponding math letter. If you have loaded the \paket{textgreek} package
+the letters are taken from there, and if you have loaded the package \paket{upgreek}
+the macros of that package are used. This documentation uses \paket{upgreek} for
+instance. If you load both \paket{upgreek} and \paket{textgreek} the letters from
+\paket{upgreek} are used.
If you don't want \chemmacros to use a package automatically but want to decide for yourself, there is the option \key[option]{greek}. \ref{tab:upgreek_mode} shows the different styles for some of the letters.
@@ -388,21 +553,32 @@ If you don't want \chemmacros to use a package automatically but want to decide
\caption{The greek letters}\label{tab:upgreek_mode}
\end{table}
-The reason why \chemmacros defines these macros in the first place is \IUPAC compliance. \IUPAC recommends to use upright greek letters in nomenclature.
+The reason why \chemmacros defines these macros in the first place is \ac{iupac}
+compliance. \ac{iupac} recommends to use upright greek letters in nomenclature.
-\begin{zitat}[\IUPAC Green Book \cite[][p.\,9]{iupac:greenbook}]
- Greek letters are used in systematic organic, inorganic, macromolecular and biochemical nomenclature. These should be roman (upright), since they are not symbols for physical quantities.
+\begin{zitat}[{\ac{iupac} Green Book \cite[][p.\,9]{iupac:greenbook}}]
+ Greek letters are used in systematic organic, inorganic, macromolecular and
+ biochemical nomenclature. These should be roman (upright), since they are not
+ symbols for physical quantities.
\end{zitat}
-\chemmacros uses these commands now to defined nomenclature commands, see page \pageref{par:greek_letters}.
+\chemmacros uses these commands now to defined nomenclature commands, see page~\pageref{par:greek_letters}.
\subsection{Own Particles}\secidx[own]{Particles, Ions and Symbols}
-Surely sometimes it can be handy to have other particle macros defined such as \lstinline+\positron+ or \lstinline+\photon+. This can easily be done with this command:
+Surely sometimes it can be handy to have other particle macros defined such as
+\lstinline+\positron+ or \lstinline+\photon+. This can easily be done with this
+command:
\begin{beschreibung}
\Befehl{DeclareChemParticle}{<cmd>}\ma{<definition>}
\Befehl{RenewChemParticle}{<cmd>}\ma{<definition>}
\end{beschreibung}
-Depending on the \key{method} you chose as option the \code{<definition>} will either be a formula defined with \paket{mhchem} or with \chemformula. The particle defined this way behaves like the predefined ones with one exception: if you chose \key{method}{mhchem} the particle \emph{will not} obey the option \key{circled}. If you want formal charges with this method you need to use \chemmacros' commands (see section \ref{sec:ladungen}) explicitly. If you chose \key{method}{chemformula} the partictle \emph{will} obey the \key{circled} option.
+Depending on the \key{method} you chose as option the \code{<definition>} will
+either be a formula defined with \paket{mhchem} or with \chemformula. The particle
+defined this way behaves like the predefined ones with one exception: if you chose
+\key{method}{mhchem} the particle \emph{will not} obey the option \key{circled}.
+If you want formal charges with this method you need to use \chemmacros' commands
+(see section~\ref{sec:ladungen}) explicitly. If you chose \key{method}{chemformula}
+the partictle \emph{will} obey the \key{circled} option.
\begin{beispiel}
% uses the `upgreek' package
\DeclareChemParticle{\positron}{$\upbeta$+}
@@ -410,14 +586,26 @@ Depending on the \key{method} you chose as option the \code{<definition>} will e
\RenewChemParticle{\el}{$\upbeta$-}
\positron\ \photon\ \el
\end{beispiel}
-\cmd{DeclareChemParticle} only defines a particle if \code{<cmd>} is not already used by any other command. If it \emph{is} already used \chemmacros will either give a warning or an error, depending on the option \key{strict}. \cmd{RenewChemParticle} \emph{only} defines a particle if \code{<cmd>} \emph{is} already used and issues a warning/error otherwise.
+\cmd{DeclareChemParticle} only defines a particle if \code{<cmd>} is not already
+used by any other command. If it \emph{is} already used \chemmacros will either
+give a warning or an error, depending on the option \key{strict}.
+\cmd{RenewChemParticle} \emph{only} defines a particle if \code{<cmd>} \emph{is}
+already used and issues a warning/error otherwise.
\secidx*{Particles, Ions and Symbols}
\section{Nomenclature, Stereo Descriptors, Latin Phrases}\label{sec:stereo}
-\subsection{\IUPAC Names}\secidx{IUPAC Names}
-Similar to the \paket{bpchem} package \chemmacros provides a command\footnote{The idea and the implementation is shamelessly borrowed from \paket*{bpchem} by Bjørn Pedersen.} to typeset \IUPAC names. Why is that useful? \IUPAC names can get very long. So long indeed that they span over more than two lines, especially in two-column documents. This means they must be allowed to be broken more than one time. This is what the following command does.
+\subsection{\acs{iupac} Names}\secidx{IUPAC Names}
+Similar to the \paket{bpchem} package \chemmacros provides a command\footnote{The
+idea and the implementation is shamelessly borrowed from \paket*{bpchem} by Bjørn
+Pedersen.} to typeset \ac{iupac} names. Why is that useful? \ac{iupac} names can get very
+long. So long indeed that they span over more than two lines, especially in
+two-column documents. This means they must be allowed to be broken more than one
+time. This is what the following command does.
\begin{beschreibung}
- \item\cmd{iupac}{<IUPAC name>} Inside this command use \cmd{|} and \cmd{-} to indicate a breaking point or a breaking dash. Use {\catcode`\^=11\relax\cmd{^}} as a shortcut for \lstinline=\textsuperscript=\footnote{Actually another mechanism is used, but the effect is essentially the same.}.
+ \item\cmd{iupac}{<IUPAC name>} Inside this command use \cmd{|} and \cmd{-} to
+ indicate a breaking point or a breaking dash. Use {\catcode`\^=11\relax\cmd{^}}
+ as a shortcut for \lstinline=\textsuperscript=\footnote{Actually another
+ mechanism is used, but the effect is essentially the same.}.
\end{beschreibung}
\begin{beispiel}
@@ -425,9 +613,13 @@ Similar to the \paket{bpchem} package \chemmacros provides a command\footnote{Th
\iupac{Tetra\|cyclo[2.2.2.1\^{1,4}]\-un\|decane-2\-dodecyl\-5\-(hepta\|decyl\|iso\|dodecyl\|thio\|ester)}
\end{minipage}
\end{beispiel}
-The \cmd{iupac} command is more of a semantic command. Most times you can achieve (nearly) the same thing by using \cmd{-} instead of \cmd{|}, \code{-} instead of \cmd{-} and \lstinline=\textsuperscript= instead of {\catcode`\^=11\relax\cmd{^}}.
+The \cmd{iupac} command is more of a semantic command. Most times you can achieve
+(nearly) the same thing by using \cmd{-} instead of \cmd{|}, \code{-} instead of
+\cmd{-} and \lstinline=\textsuperscript= instead of {\catcode`\^=11\relax\cmd{^}}.
-There are some subtleties: \cmd{-} inserts a small space before the hyphen a removes a small space after it. The command \cmd{|} not only prevents ligatures but also inserts a small space.
+There are some subtleties: \cmd{-} inserts a small space before the hyphen a
+removes a small space after it. The command \cmd{|} not only prevents ligatures
+but also inserts a small space.
\begin{beispiel}
\huge\iupac{2,4\-Di\|chlor\|pentan} \\
2,4-Dichlorpentan
@@ -440,11 +632,26 @@ The spaces inserted by these commands can be customized.
\option[iupac]{break-space}{<dim>} Default = \code{.01em}
\end{beschreibung}
-The command \cmd{iupac} serves another purpose, too, however. Regardless of the setting of the \key[option]{iupac} option all the commands presented in this section are always defined \emph{inside} \cmd{iupac}. Quite a number of the naming commands have very general names: \cmd{meta}, \cmd{D}, \cmd{E}, \cmd{L}, \cmd{R}, \cmd{S}, \cmd{trans} and so forth. This means they either are predefined already (\cmd{L} \L) or are easily defined by another package or class (the \paket{cool} package defines both \cmd{D} and \cmd{E}, for example). In order to give you control which commands are defined in which way, there is the package option \key[option]{iupac}\label{desc:iupac}. It has three modes:
+The command \cmd{iupac} serves another purpose, too, however. Regardless of the
+setting of the \key[option]{iupac} option all the commands presented in this
+section are always defined \emph{inside} \cmd{iupac}. Quite a number of the naming
+commands have very general names: \cmd{meta}, \cmd{D}, \cmd{E}, \cmd{L}, \cmd{R},
+\cmd{S}, \cmd{trans} and so forth. This means they either are predefined already
+(\cmd{L} \L) or are easily defined by another package or class (the \paket{cool}
+package defines both \cmd{D} and \cmd{E}, for example). In order to give you
+control which commands are defined in which way, there is the package option
+\key[option]{iupac}\label{desc:iupac}. It has three modes:
\begin{itemize}
- \item \key{iupac}{auto}: if the commands are \emph{not} defined by any package or class you're using they are available generally, otherwise only \emph{inside} \cmd{iupac}.
- \item \key{iupac}{restricted}: all naming commands are \emph{only} defined inside \cmd{iupac}. If the commands are defined by another package they of course have that meaning outside. They're not defined outside otherwise.
- \item \key{iupac}{strict}: \chemmacros overwrites any other definition and makes the commands available throughout the document. Of course the commands can be redefined (but only in the document body). They will still be available inside \cmd{iupac} then.
+ \item \key{iupac}{auto}: if the commands are \emph{not} defined by any package
+ or class you're using they are available generally, otherwise only \emph{inside}
+ \cmd{iupac}.
+ \item \key{iupac}{restricted}: all naming commands are \emph{only} defined inside
+ \cmd{iupac}. If the commands are defined by another package they of course
+ have that meaning outside. They're not defined outside otherwise.
+ \item \key{iupac}{strict}: \chemmacros overwrites any other definition and makes
+ the commands available throughout the document. Of course the commands can be
+ redefined (but only in the document body). They will still be available inside
+ \cmd{iupac} then.
\end{itemize}
\ref{tab:iupac_modes} demonstrates the different modes.
@@ -461,9 +668,13 @@ The command \cmd{iupac} serves another purpose, too, however. Regardless of the
\end{table}
\subsubsection{Predefined Commands}\secidx[predefined]{IUPAC Names}\secidx{Stereo Descriptors and Nomenclature}
-The macros in this section are intended to make the writing of \IUPAC names more convenient.
+The macros in this section are intended to make the writing of \ac{iupac} names more
+convenient.
+
\paragraph{Greek Letters}\label{par:greek_letters}\secidx[greek letters]{IUPAC Names}
-Greek letters in compound names are typeset upright. For this there are the packages \paket{upgreek} and \paket{textgreek}. If you have loaded one of them \chemmacros typesets the following commands upright:
+Greek letters in compound names are typeset upright. For this there are the packages
+\paket{upgreek} and \paket{textgreek}. If you have loaded one of them \chemmacros
+typesets the following commands upright:
\begin{beschreibung}
\befehl{a} \iupac{\a}
\befehl{b} \iupac{\b}
@@ -480,7 +691,9 @@ Greek letters in compound names are typeset upright. For this there are the pack
\end{beispiel}
\paragraph{Hetero Atoms and added Hydrogen}\secidx[hetero atoms]{IUPAC Names}
-Attachments to hetero atoms and added hydrogen atoms are indicated by italic letters \cite{iupac:greenbook}. \chemmacros defines a few shortcuts for the most common ones.
+Attachments to hetero atoms and added hydrogen atoms are indicated by italic
+letters~\cite{iupac:greenbook}. \chemmacros defines a few shortcuts for the most
+common ones.
\begin{beschreibung}
\befehl{H} \iupac{\H}
\befehl{O} \iupac{\O}
@@ -494,20 +707,31 @@ Attachments to hetero atoms and added hydrogen atoms are indicated by italic let
\iupac{\O\-ethyl hexanethioate}
\end{beispiel}
-\paragraph{Cahn-Ingold-Prelog}\index{Cahn-Ingold-Prelog}\secidx[Cahn-Ingold-Prelog]{IUPAC Names}
+\paragraph{Cahn-Ingold-Prelog}\index{Cahn-Ingold-Prelog}\secidx[Cahn-Ingold-Prelog]{IUPAC Names}\label{par:cip}% TODO Jonas (label neu)
\begin{beschreibung}
\befehl{cip}{<conf>} \eg: \cmd{cip}{R,S} \cip{R,S}
\befehl{R} \iupac{\R}
\befehl{S} \iupac{\S}
\end{beschreibung}
-Since the command \cmd{S} has another meaning already (\S) it is only available inside \cmd{iupac} in the default setting.
+Since the command \cmd{S} has another meaning already (\S) it is only available
+inside \cmd{iupac} in the default setting.
+
+% TODO Jonas
+Both these commands and the entgegen/zusammen descriptors get a small additional
+amount of kerning after the closing parenthesis. This amount can be changed through
+the following option:
+\begin{beschreibung}
+ \option[iupac]{cip-kern}{<dim>} amount of kerning after the closing parenthesis.
+ Default = \code{.1ex}
+\end{beschreibung}
\paragraph{Fischer}\index{Fischer}\secidx[Fischer]{IUPAC Names}
\begin{beschreibung}
\befehl{D} \iupac{\D}
\befehl{L} \iupac{\L}
\end{beschreibung}
-Since the command \cmd{L} has another meaning already (\L) it is only available inside \cmd{iupac} in the default setting.
+Since the command \cmd{L} has another meaning already (\L) it is only available
+inside \cmd{iupac} in the default setting.
\paragraph{cis/trans, zusammen/entgegen, syn/anti \& tert}\index{tert}\secidx[tert]{IUPAC Names}\index{cis/trans}\secidx[cis/trans]{IUPAC Names}\index{zusammen/entgegen}\secidx[zusammen/entgegen]{IUPAC Names}\secidx[syn/anti]{IUPAC Names}
\begin{beschreibung}
@@ -519,7 +743,9 @@ Since the command \cmd{L} has another meaning already (\L) it is only available
\befehl{anti} \anti
\befehl{tert} \tert
\end{beschreibung}
-The package \paket{cool} defines the commands \cmd{E} and \cmd{D}, too. If you load it, the \chemmacros version will only be available inside \cmd{iupac} in the default setting.
+The package \paket{cool} defines the commands \cmd{E} and \cmd{D}, too. If you
+load it, the \chemmacros version will only be available inside \cmd{iupac} in
+the default setting.
\paragraph{ortho/meta/para}\index{ortho/meta/para}\secidx[ortho/meta/para]{IUPAC Names}
\begin{beschreibung}
@@ -561,8 +787,11 @@ Examples:
Two options allow customization:
\begin{beschreibung}
- \option[iupac]{bridge-number}{sub/super} appends the number as a supscript or superscript. IUPAC recommendation is the subscript \cite{iupac:redbook}. Default = \code{sub}
- \option[iupac]{coord-use-hyphen}{\default{true}/false} append a hyphen to \cmd{hapto} and \cmd{bridge} or don't. Default = \code{true}
+ \option[iupac]{bridge-number}{sub/super} appends the number as a subscript or
+ superscript. \ac{iupac} recommendation is the subscript \cite{iupac:redbook}.
+ Default = \code{sub}
+ \option[iupac]{coord-use-hyphen}{\default{true}/false} append a hyphen to
+ \cmd{hapto} and \cmd{bridge} or don't. Default = \code{true}
\end{beschreibung}
\subsubsection{Own Naming Commands}\secidx[own]{IUPAC Names}
@@ -571,14 +800,18 @@ If you find any commands missing you can define them using
\befehl{DeclareChemIUPAC}{<cmd>}\ma{<declaration>}
\befehl{RenewChemIUPAC}{<cmd>}\ma{<declaration>}
\end{beschreibung}
-A command defined in this way will obey the setting of the option \key[option]{iupac}. This means any existing command is only overwritten with \key{iupac}{strict}. However, \cmd{DeclareChemIUPAC} will \emph{not} change the definition of an existing \IUPAC naming command but issue a warning/an error (depending on the package option \key{strict}) if the \IUPAC naming command already exists.
+A command defined in this way will obey the setting of the option \key[option]{iupac}.
+This means any existing command is only overwritten with \key{iupac}{strict}. However,
+\cmd{DeclareChemIUPAC} will \emph{not} change the definition of an existing \ac{iupac}
+naming command but issue a warning/an error (depending on the package option
+\key{strict}) if the \ac{iupac} naming command already exists.
\begin{beispiel}
\DeclareChemIUPAC\endo{\textit{endo}}
- \DeclareChemIUPAC\anti{\textit{anti}}
+ \RenewChemIUPAC\anti{\textit{anti}}
\iupac{(2\-\endo,7\-\anti)\-2\-bromo\-7\-fluoro\|bicyclo[2.2.1]heptane}
\end{beispiel}
-\cmd{RenewChemIUPAC} allows you to redefine the existing iupac naming commands.
+\cmd{RenewChemIUPAC} allows you to redefine the existing \ac{iupac} naming commands.
\begin{beispiel}
\iupac{\meta\-Xylol} \\
\RenewChemIUPAC\meta{\textit{m}}
@@ -588,14 +821,19 @@ A command defined in this way will obey the setting of the option \key[option]{i
\secidx*{IUPAC Names}
\subsection{Latin Phrases}\secidx{Latin Phrases}
-The package \paket{chemstyle} provides the command \cmd{latin} to typeset common latin phrases in a consistent way. \chemmacros defines a similar \cmd{latin} only if \paket{chemstyle} has \emph{not} been loaded and additionally provides these commands:
+The package \paket{chemstyle} provides the command \cmd{latin} to typeset common
+latin phrases in a consistent way. \chemmacros defines a similar \cmd{latin} only
+if \paket{chemstyle} has \emph{not} been loaded and additionally provides these
+commands:
\begin{beschreibung}
\befehl{insitu} \insitu
\befehl{abinitio} \abinitio
\befehl{invacuo} \invacuo
\end{beschreibung}
-If the package \paket{chemstyle} has been loaded they are defined using \paket{chemstyle}'s \cmd{latin} command. This means that then the appearance depends on \paket{chemstyle}'s option \code{abbremph}:
+If the package \paket{chemstyle} has been loaded they are defined using
+\paket{chemstyle}'s \cmd{latin} command. This means that then the appearance
+depends on \paket{chemstyle}'s option \code{abbremph}:
\begin{beispiel}
\insitu, \abinitio\\
\cstsetup{abbremph=false}
@@ -603,27 +841,33 @@ If the package \paket{chemstyle} has been loaded they are defined using \paket{c
\end{beispiel}
The commands are defined through
\begin{beschreibung}
- \befehl{DeclareChemLatin}{<cmd>}\ma{<phrase>}
- \befehl{RenewChemLatin}{<cmd>}\ma{<phrase>}
+ \Befehl{DeclareChemLatin}{<cmd>}\ma{<phrase>}
+ \Befehl{RenewChemLatin}{<cmd>}\ma{<phrase>}
\end{beschreibung}
\begin{beispiel}
\DeclareChemLatin\ltn{latin text}
\ltn \cstsetup{abbremph=false} \ltn
\end{beispiel}
-If you have \emph{not} loaded \paket{chemstyle} you can change the appearance with this option:
+If you have \emph{not} loaded \paket{chemstyle} you can change the appearance with
+this option:
\begin{beschreibung}
\option[latin]{format}{<definition>} Default = \lstinline+\itshape+
\end{beschreibung}
\secidx*{Latin Phrases}
\section{Units for the Usage With \textsf{siunitx}}\label{sec:einheiten}\secidx{Units}
-In chemistry some non-SI units are very common. \paket{siunitx} provides the command \lstinline+\DeclareSIUnit{<command>}{<unit>}+ to add arbitrary units. \chemmacros uses that command to provide some units. Like all \paket{siunitx} units they're only valid inside \lstinline+\SI{<num>}{<unit>}+ and \lstinline+\si{<unit>}+.
+In chemistry some non-SI units are very common. \paket{siunitx} provides the
+command \lstinline+\DeclareSIUnit{<command>}{<unit>}+ to add arbitrary units.
+\chemmacros uses that command to provide some units. Like all \paket{siunitx}
+units they're only valid inside \lstinline+\SI{<num>}{<unit>}+ and \lstinline+\si{<unit>}+.
\begin{beschreibung}
\befehl{atmosphere} \si{\atmosphere}
\befehl{atm} \si{\atm}
\befehl{calory} \si{\calory}
\befehl{cal} \si{\cal}
- \befehl{cmc} \si{\cmc} The units \cmd{cmc}, \cmd{molar}, and \cmd{Molar} are defined by the package \paket{chemstyle} as well. \chemmacros only defines them, if \paket{chemstyle} is not loaded.
+ \befehl{cmc} \si{\cmc} The units \cmd{cmc}, \cmd{molar}, and \cmd{Molar} are
+ defined by the package \paket{chemstyle} as well. \chemmacros only defines them,
+ if \paket{chemstyle} is not loaded.
\befehl{molar} \si{\molar}
\befehl{moLar} \si{\moLar}
\befehl{Molar} \si{\Molar}
@@ -636,7 +880,8 @@ By the way: \lstinline+\mmHg+ \si{\mmHg} already is defined by \paket{siunitx} a
\secidx*{Units}
\section{Acid/Base}\label{sec:saeure_base}\secidx{Acid/Base}
-Easy representation of \pH, \pKa \ldots\ (the command \cmd{pKa} depends on the package option \key[option]{language}).
+Easy representation of \pH, \pKa \ldots\ (the command \cmd{pKa} depends on the
+package option \key[option]{language}).
\begin{beschreibung}
\befehl{pH} \pH
\befehl{pOH} \pOH
@@ -652,8 +897,9 @@ Easy representation of \pH, \pKa \ldots\ (the command \cmd{pKa} depends on the p
\Ka \Kb \pKa \pKa[1] \pKb \pKb[1]
\end{beispiel}
-\achtung{The default appearance of the \p{}-commands has changed to follow \IUPAC recommendations.}
-\begin{zitat}[\IUPAC Green Book \cite[][p.\,103]{iupac:greenbook}]
+\achtung{The default appearance of the \p{}-commands has changed to follow \ac{iupac}
+recommendations.}
+\begin{zitat}[{\acs{iupac} Green Book \cite[][p.\,103]{iupac:greenbook}}]
The operator \p{} […] shall be printed in Roman type.
\end{zitat}
@@ -671,7 +917,9 @@ There is one option which changes the style the \p{} is typeset:
\secidx*{Acid/Base}
\section{Oxidation Numbers, Real and Formal Charges}\label{sec:ladungen}
-\chemmacros distinguishes between real ($+$/$-$) and formal (\fplus/\fminus) charge symbols, also see section \ref{sec:optionen}. All commands using formal charge symbols start with a \code{f}.
+\chemmacros distinguishes between real ($+$/$-$) and formal (\fplus/\fminus)
+charge symbols, also see section~\ref{sec:optionen}. All commands using formal
+charge symbols start with a \code{f}.
\subsection{Ion Charges}\label{ssec:ionen}\secidx{Ion Charges}
Simple displaying of (real) charges:
\begin{beschreibung}
@@ -696,7 +944,8 @@ The same for formal charges:
There is a key which influences the behaviour of the charges.
\begin{beschreibung}
- \option[charges]{append}{\default{true}/false} if set \code{true}, the charge is appended together with an empty group.
+ \option[charges]{append}{\default{true}/false} if set \code{true}, the charge
+ is appended together with an empty group.
\end{beschreibung}
This is how the key influences the behaviour:
\begin{beispiel}
@@ -707,7 +956,8 @@ This is how the key influences the behaviour:
\chemsetup[charges]{append=true}
\ce{H\pch\aq} \ce{H\aq\pch}
\end{beispiel}
-In most cases this behaviour will be unwanted. However, in some cases it might be useful, for example together with the \cmd{ox} command (see next section):
+In most cases this behaviour will be unwanted. However, in some cases it might be
+useful, for example together with the \cmd{ox} command (see next section):
\begin{beispiel}
\chemsetup{charges/append=false,phases/pos=sub}
\ce{\ox{1,H}\pch\aq}
@@ -720,7 +970,8 @@ In most cases this behaviour will be unwanted. However, in some cases it might b
\subsection{Oxidation Numbers}\label{ssec:oxidationszahlen}\secidx{Oxidation Numbers}
Typesetting oxidation numbers:
\begin{beschreibung}
- \befehl{ox}[<keyval>]{<number>,<atom>} places \code{<number>} above \code{<atom>}; \code{<number>} has to be a (rational) number!
+ \befehl{ox}[<keyval>]{<number>,<atom>} places \code{<number>} above \code{<atom>};
+ \code{<number>} has to be a (rational) number!
\end{beschreibung}
\begin{beispiel}
@@ -729,11 +980,17 @@ Typesetting oxidation numbers:
There are a number of keys, that can be used to modify the \cmd{ox} command.
\begin{beschreibung}
- \option[ox]{parse}{\default{true}/false} when \code{false} an arbitrary entry can be used for \code{<number>}. Default = \code{true}
- \option[ox]{roman}{\default{true}/false} switches from roman to arabic numbers. Default = \code{true}
- \option[ox]{pos}{top/super/side}; \code{top} places \code{<number>} above \code{<atom>}, \code{super} to the upper right as superscript and \code{side} to the right and inside brackets. Default = \code{top}
- \option[ox]{explicit-sign}{\default{true}/false} shows the $+$ for positiv numbers and the $\pm$ for $0$. Default = \code{false}
- \option[ox]{decimal-marker}{comma/point} choice for the decimal marker for formal oxidation numbers like \ox{1.2,X}. Default = \code{point}
+ \option[ox]{parse}{\default{true}/false} when \code{false} an arbitrary entry
+ can be used for \code{<number>}. Default = \code{true}
+ \option[ox]{roman}{\default{true}/false} switches from roman to arabic numbers.
+ Default = \code{true}
+ \option[ox]{pos}{top/super/side}; \code{top} places \code{<number>} above
+ \code{<atom>}, \code{super} to the upper right as superscript and \code{side}
+ to the right and inside brackets. Default = \code{top}
+ \option[ox]{explicit-sign}{\default{true}/false} shows the $+$ for positiv
+ numbers and the $\pm$ for $0$. Default = \code{false}
+ \option[ox]{decimal-marker}{comma/point} choice for the decimal marker for
+ formal oxidation numbers like \ox{1.2,X}. Default = \code{point}
\end{beschreibung}
\begin{beispiel}
@@ -743,12 +1000,13 @@ There are a number of keys, that can be used to modify the \cmd{ox} command.
\ox[parse=false]{?,Mn}
\end{beispiel}
-The \key[ox]{pos}{super} variant also can be set with the shortcut \cmd[oxa]{ox*}:
+The \key[ox]{pos}{super} variant also can be set with the shortcut \cmd{ox}*:
\begin{beispiel}
\ox{3,Fe} \ox*{3,Fe}
\end{beispiel}
-Using the \key[ox]{explicit-sign} key will always show the sign of the oxidation number:
+Using the \key[ox]{explicit-sign} key will always show the sign of the oxidation
+number:
\begin{beispiel}
\chemsetup[ox]{explicit-sign = true}
\ox{+1,Na}, \ox{2,Ca}, \ox{-2,S}, \ch{"\ox{0,F}" {}2}
@@ -763,7 +1021,8 @@ Sometimes one might want to use formal oxidation numbers like \num{.5} or $\frac
\ox{.5,\ch{Br2}} \ch{"\ox{1/3,I}" {}3+}
\end{beispiel}
-The fraction uses the \lstinline+\sfrac+ command of the \paket{xfrac} package. For this purpose the instance \lstinline+chemmacros-ox-frac+ is defined.
+The fraction uses the \lstinline+\sfrac+ command of the \paket{xfrac} package.
+For this purpose the instance \lstinline+chemmacros-ox-frac+ is defined.
\begin{beispiel}[code only]
\DeclareInstance{xfrac}{chemmacros-ox-frac}{text}
{
@@ -775,7 +1034,8 @@ The fraction uses the \lstinline+\sfrac+ command of the \paket{xfrac} package. F
slash-symbol-font = lmr
}
\end{beispiel}
-Of course you can redefine it so that it suits your needs as the output often strongly depends on the used font.
+Of course you can redefine it so that it suits your needs as the output often
+strongly depends on the used font.
\secidx*{Oxidation Numbers}
\subsection{Partial Charges and Similar Stuff}\label{ssec:partialladungen}\secidx{Partial Charges}
@@ -787,7 +1047,8 @@ The next ones probably are seldomly needed but nevertheless useful:
\befehl{fdelm} \fdelm
\end{beschreibung}
-These macros for example can be used with the \cmd{ox} command or with the \paket{chemfig} package:
+These macros for example can be used with the \cmd{ox} command or with the
+\paket{chemfig} package:
\begin{beispiel}
\chemsetup{
option/circled = all,
@@ -819,7 +1080,8 @@ With the command
\begin{beschreibung}
\Befehl{mech}[<type>]
\end{beschreibung}
-one can specify the most common reaction mechanisms. \code{<type>} can have one of the following values:
+one can specify the most common reaction mechanisms. \code{<type>} can have one
+of the following values:
\begin{beschreibung}
\befehl{mech} (empty, no opt. argument) nucleophilic substitution \mech
\befehl{mech}[1] unimolecular nucleophilic substitution \mech[1]
@@ -831,18 +1093,25 @@ one can specify the most common reaction mechanisms. \code{<type>} can have one
\befehl{mech}[e] elimination \mech[e]
\befehl{mech}[e1] unimolecular elimination \mech[e1]
\befehl{mech}[e2] bimolecular elimination \mech[e2]
- \befehl{mech}[cb] unimolecular elimination \enquote{conjugated base}, \ie via carbanion \mech[cb]
+ \befehl{mech}[cb] unimolecular elimination \enquote{conjugated base}, \ie via
+ carbanion \mech[cb]
\end{beschreibung}
\secidx*{Reaction Mechanisms}
\section{Redox Reactions}\label{sec:redoxreaktionen}\secidx{Redox Reactions}% TODO: watch pagebreaks!
-\chemmacros provides two commands to visualize the transfer of electrons in redox reactions. Both commands are using \TikZ.
+\chemmacros provides two commands to visualize the transfer of electrons in redox
+reactions. Both commands are using \TikZ.
\begin{beschreibung}
\Befehl{OX}{<name>,<atom>}
- \Befehl{redox}(<name1>,<name2>)[<tikz>]\oa{<num>}{<text>} \cnpkgdocarrow\ Only the first argument \da{<name1>,<name2>} is required, the others are all optional.
+ \Befehl{redox}(<name1>,<name2>)[<tikz>]\oa{<num>}{<text>} \cnpkgdocarrow\ Only
+ the first argument \da{<name1>,<name2>} is required, the others are all optional.
\end{beschreibung}
-\cmd{OX} places \code{<atom>} into a node, which is named with \code{<name>}. If you have set two \cmd{OX}, they can be connected with a line using \cmd{redox}. To do so the names of the two nodes that are to be connected are written in the round braces. Since \cmd{redox} draws a tikzpicture with options \code{remember picture,overlay}, the document needs to be \emph{compiled at least two times}.
+\cmd{OX} places \code{<atom>} into a node, which is named with \code{<name>}. If
+you have set two \cmd{OX}, they can be connected with a line using \cmd{redox}.
+To do so the names of the two nodes that are to be connected are written in the
+round braces. Since \cmd{redox} draws a tikzpicture with options \code{remember
+picture,overlay}, the document needs to be \emph{compiled at least two times}.
\begin{beispiel}[dist]
\OX{a,Na} $\rightarrow$ \OX{b,Na}\pch\redox(a,b){oxidation}
\end{beispiel}
@@ -851,7 +1120,10 @@ This line can be customized using \TikZ keys in \oa{<tikz>}:
\OX{a,Na} $\rightarrow$ \OX{b,Na}\pch\redox(a,b)[->,red]{ox}
\end{beispiel}
-With the argument \oa{<num>} the length of the vertical parts of the line can be adjusted. The default length is \code{.6em}. This length is multiplied with \code{<num>}. If you use a negative value the line is placed \emph{below} the text.
+With the argument \oa{<num>} the length of the vertical parts of the line can be
+adjusted. The default length is \code{.6em}. This length is multiplied with
+\code{<num>}. If you use a negative value the line is placed \emph{below} the
+text.
\begin{beispiel}[dist]
\OX{a,Na} $\rightarrow$ \OX{b,Na}\pch
\redox(a,b)[->,red]{ox}
@@ -924,7 +1196,8 @@ Their usage is pretty much self-explaining:
\Entropy{123} \\
\Gibbs{123}
\end{beispiel}
-The argument \da{<subscript>} adds a subscript for specification: \cmd{Enthalpy}(r){123} \Enthalpy(r){123}.
+The argument \da{<subscript>} adds a subscript for specification:
+\cmd{Enthalpy}(r){123} \Enthalpy(r){123}.
There are several keys to customize the commands.
\begin{beschreibung}
@@ -940,7 +1213,8 @@ The default values depend on the command.
\Gibbs[delta=false]{0} \\
\Entropy[delta=\Delta,exponent=]{56.7}
\end{beispiel}
-The unit is set corresponding to the rules of \paket{siunitx} and depends on its settings:
+The unit is set corresponding to the rules of \paket{siunitx} and depends on its
+settings:
\begin{beispiel}
\Enthalpy{-1234.56e3} \\
\sisetup{per-mode=symbol,exponent-product=\cdot,output-decimal-marker={,},group-four-digits=true}
@@ -962,7 +1236,8 @@ to create new corresponding commands:
\ElPot[exponent=0]($\ch{Sn}|\ch{Sn^2+}||\ch{Pb^2+}|\ch{Pb}$){0.01}
\end{beispiel}
-The command has some keys with which the default behaviour of the new command can be set.
+The command has some keys with which the default behaviour of the new command can
+be set.
\begin{beschreibung}
\Option*{exponent}{<anything>}
\Option*{delta}{<anything>/false}
@@ -983,7 +1258,8 @@ you can redefine the already existing commands:
\end{beispiel}
The command is analogous to \cmd{DeclareChemState}, \ie it has the same keys.
-So \textendash\ for following thermodynamic conventions \textendash\ one could define a molar and an absolute variable:
+So \textendash\ for following thermodynamic conventions \textendash\ one could
+define a molar and an absolute variable:
\begin{beispiel}
\DeclareChemState[exponent=]{enthalpy}{h}{\kilo\joule\per\mole}% molar
\RenewChemState[exponent=]{Enthalpy}{H}{\kilo\joule}% absolute
@@ -991,7 +1267,8 @@ So \textendash\ for following thermodynamic conventions \textendash\ one could d
\end{beispiel}
\subsection{State}\label{ssec:state}
-The commands presented in section \ref{ssec:siunitx} internally all use the command\footnote{Please note that \ma{<subscript>} is an \emph{optional} argument.}
+The commands presented in section~\ref{ssec:siunitx} internally all use the
+command\footnote{Please note that \ma{<subscript>} is an \emph{optional} argument.}
\begin{beschreibung}
\Befehl{State}[<keyval>]{<symbol>}\ma{<subscript>}
\end{beschreibung}
@@ -1013,15 +1290,15 @@ Again there are some keys to customize the command:
\section{Spectroscopy and Experimental Data}\label{sec:spektroskopie}\secidx{Spectroscopy}
\subsection{The \code{\textbackslash\textcolor{code}{NMR}} Command}
-When you're trying to find out if a compound is the one you think it is often NMR spectroscopy is used. The experimental data are typeset similar to this:
+When you're trying to find out if a compound is the one you think it is often NMR
+spectroscopy is used. The experimental data are typeset similar to this:
\begin{center}
\NMR(400)[CDCl3] = \num{1.59}
\end{center}
\chemmacros provides a command which simplifies the input (uses \paket{siunitx}).
\begin{beschreibung}
- \Befehl{NMR}{<num>,<elem>}\da{<num>,<unit>}\oa{<solvent>}
- \Befehl{NMR*}{<num>,<elem>}\da{<num>,<unit>}\oa{<solvent>}
+ \Befehl{NMR}*{<num>,<elem>}\da{<num>,<unit>}\oa{<solvent>}
\end{beschreibung}
\emph{All} Argument are optional! Without arguments we get:
@@ -1059,7 +1336,8 @@ It is possible to define short cut commands for specific nuclei.
\Befehl{DeclareChemNMR}{<csname>}\ma{<num>,<atom>}
\Befehl{RenewChemNMR}{<csname>}\ma{<num>,<atom>}
\end{beschreibung}
-This defines a command with the same arguments as \cmd{NMR} \emph{except} for \ma{<num>,<atom>}.
+This defines a command with the same arguments as \cmd{NMR} \emph{except} for
+\ma{<num>,<atom>}.
\begin{beispiel}
\DeclareChemNMR\HNMR{1,H}%
\DeclareChemNMR\CNMR{13,C}%
@@ -1070,10 +1348,15 @@ This defines a command with the same arguments as \cmd{NMR} \emph{except} for \m
\subsection{An Environment to Typeset Experimental Data}
\chemmacros provides an environment to ease the input of experimental data.
\begin{beschreibung}\catcode`\#=11
- \umg{experimental}{data} Environment for the output of experimental data. Inside theis environment the following commands are defined.
- \Befehl{data}{<type>}\oa{<specification>} \cnpkgdocarrow\ Type of data, \eg\ IR, MS\ldots\ The optional argument takes further specifications which are output in parentheses.
- \Befehl{data*}{<type>}\oa{<specification>} \cnpkgdocarrow\ Like \cmd{data} but changes the \code{=} into a \code{:}, given that \key{use-equal}{true} is used.
- \befehl{J}[<unit>]{<list of nums>} Coupling constant, values are input separated by \code{;} (NMR).
+ \umg{experimental}{data} Environment for the output of experimental data. Inside
+ the environment the following commands are defined.
+ \Befehl{data}{<type>}\oa{<specification>} \cnpkgdocarrow\ Type of data, \eg\ IR,
+ MS\ldots\ The optional argument takes further specifications which are output
+ in parentheses.
+ \Befehl{data}*{<type>}\oa{<specification>} \cnpkgdocarrow\ Like \cmd{data} but
+ changes the \code{=} into a \code{:}, given that \key{use-equal}{true} is used.
+ \befehl{J}[<unit>]{<list of nums>} Coupling constant, values are input separated
+ by \code{;} (NMR).
\befehl{#}{<num>} Number of nuclei (NMR).
\befehl{pos}{<num>} Position of nuclues (NMR).
\befehl{val}{<num>} A number, an alias of \paket*{siunitx}' \lstinline+\num{<num>}+
@@ -1089,18 +1372,25 @@ This defines a command with the same arguments as \cmd{NMR} \emph{except} for \m
\end{beispiel}
\subsection{Customization}
-The output of the environment and of the NMR commands can be customized be y number of options. For historical reasons they all belong to the module \textcolor{module}{\code{nmr}}.
+The output of the environment and of the NMR commands can be customized be a number
+of options. For historical reasons they all belong to the module
+\textcolor{module}{\code{nmr}}.
\begin{beschreibung}
\option[nmr]{unit}{<unit>} Default = \lstinline=\mega\hertz=
\option[nmr]{nucleus}{\{<num>,<atom>\}} Default = \ma{1,H}
\option[nmr]{format}{<commands>} for example \lstinline=\bfseries=
- \option[nmr]{pos-number}{side/sub} Position of the number next to the atom. Default = \code{side}
- \option[nmr]{coupling-unit}{<unit>} A \paket{siunitx} unit. Default = \lstinline=\hertz=
- \option[nmr]{parse}{true/false} Treat the solvent as \paket{mhchem}/\chemformula formula or not. Default = \code{true}
+ \option[nmr]{pos-number}{side/sub} Position of the number next to the atom.
+ Default = \code{side}
+ \option[nmr]{coupling-unit}{<unit>} A \paket{siunitx} unit. Default =
+ \lstinline=\hertz=
+ \option[nmr]{parse}{true/false} Treat the solvent as \paket{mhchem}/\chemformula
+ formula or not. Default = \code{true}
\option[nmr]{delta}{<tokens>} The \code{<tokens>} are added after $\delta$.
- \option[nmr]{list}{true/false} The environment \env{nmr}[<optionen>]{} is formatted as a list. Default = \code{false}
+ \option[nmr]{list}{true/false} The environment \env{nmr}[<optionen>]{} is
+ formatted as a list. Default = \code{false}
\option[nmr]{list-setup}{<setup>} Setup of the list. Default = see below.
- \option[nmr]{use-equal}{\default{true}/false} Add egual sign after \cmd{NMR} and \cmd{data}. Default = \code{false}
+ \option[nmr]{use-equal}{\default{true}/false} Add egual sign after \cmd{NMR}
+ and \cmd{data}. Default = \code{false}
\end{beschreibung}
The default setup of the list:
@@ -1118,7 +1408,8 @@ The default setup of the list:
\end{experimental}
\end{beispiel}
-The command \cmd{NMR} and all commands defined through \cmd{DeclareChemNMR} can be used like \cmd{data} for the NMR data.
+The command \cmd{NMR} and all commands defined through \cmd{DeclareChemNMR} can
+be used like \cmd{data} for the NMR data.
\begin{beispiel}
\begin{experimental}[format=\bfseries,use-equal]
@@ -1129,7 +1420,8 @@ The command \cmd{NMR} and all commands defined through \cmd{DeclareChemNMR} can
\end{beispiel}
\subsection{An Example}
-The code below is shown with different specifications for \code{<optionen>}. Of course options can also be chosen with \cmd{chemsetup}.
+The code below is shown with different specifications for \code{<optionen>}. Of
+course options can also be chosen with \cmd{chemsetup}.
\begin{lstlisting}
\sisetup{separate-uncertainty,per-mode=symbol,detect-all,range-phrase=--}
@@ -1242,9 +1534,13 @@ Output for these options: \code{<optionen>}:
\secidx*{Spectroscopy}
\section{Commands for \textsf{mhchem}}\label{sec:mhchem}\secidx{Commands for mhchem}
-\paket{mhchem} isn't loaded automatically any more but only if you've specified \key[option]{method}{mhchem} in the preamble. In the default settings \chemmacros uses \chemformula instead.
+\paket{mhchem} isn't loaded automatically any more but only if you've specified
+\key[option]{method}{mhchem} in the preamble. In the default settings \chemmacros
+uses \chemformula instead.
-\chemmacros provides only one command specifically for \paket{mhchem}\footnote{\chemformula provides its own possibility.}. It is meant to place text below of compounds.
+\chemmacros provides only one command specifically for \paket*{mhchem}%
+\footnote{\chemformula provides its own possibility.}. It is meant to place text
+below of compounds.
\begin{beschreibung}
\Befehl{mhName}[<keyval>]{<formula>}\ma{<text>}
\end{beschreibung}
@@ -1256,10 +1552,13 @@ For example:
There are several keys to customize \cmd{mhName}.
\begin{beschreibung}
- \option[mhName]{align}{<alignment command>} the alignment of the text in the box it is placed in, default = \lstinline+\centering+
+ \option[mhName]{align}{<alignment command>} the alignment of the text in the box
+ it is placed in, default = \lstinline+\centering+
\option[mhName]{format}{<anything>} the format of the text
- \option[mhName]{fontsize}{<font size command>} the fontsize of the text, default = \lstinline+\tiny+
- \option[mhName]{width}{<dim>/auto} the width of the box the text is placed in, default = \code{auto}
+ \option[mhName]{fontsize}{<font size command>} the fontsize of the text, default
+ = \lstinline+\tiny+
+ \option[mhName]{width}{<dim>/auto} the width of the box the text is placed in,
+ default = \code{auto}
\end{beschreibung}
\begin{beispiel}
\ce{4 C2H5Cl + Pb / Na -> \mhName[fontsize=\footnotesize]{Pb(C2H5)4}{former antiknock additive} + NaCl}\\
@@ -1282,9 +1581,11 @@ You can use these environments for numbered\ldots
\Umg{reactions*}{<formula or mhchem code>}
\end{beschreibung}
-With them you can create (un)numbered reaction equations similar to mathematical equations.
+With them you can create (un)numbered reaction equations similar to mathematical
+equations.
-Theses environments use the \code{equation}/\code{equation*} environments or the \code{align}/\code{align*} environments, respectively, to display the reactions.
+Theses environments use the \code{equation}/\code{equation*} environments or the
+\code{align}/\code{align*} environments, respectively, to display the reactions.
\begin{beispiel}
Reaction with counter:
@@ -1318,7 +1619,8 @@ Theses environments use the \code{equation}/\code{equation*} environments or the
If you want to change the layout of the counter tags, you can use
-\cmd{renewtagform}{<tagname>}\oa{<format>}\ma{<right delim>}\ma{<left delim>}\footnote{Provided by the \paket*{mathtools} package}.
+\cmd{renewtagform}{<tagname>}\oa{<format>}\ma{<right delim>}\ma{<left delim>}%
+\footnote{Provided by the \paket*{mathtools} package}.
\begin{beispiel}
\renewtagform{reaction}[R \textbf]{[}{]}
@@ -1334,10 +1636,14 @@ With version 3.3 referencing and the use of \AmS math's \cmd{intertext} also fun
\intertext{Some text in between aligned reactions}
3 E + F &<=> G + 1/2 H
\end{reactions}
- See reaction \ref{rxn:test}.
+ See reaction~\ref{rxn:test}.
\end{beispiel}
-\achtung{In the standard setting, \ie using \key{method}{chemformula} you should not use \cmd{mch} and its relatives inside the \code{reaction} environments. They will very likely mess with spacing. In the standard setting charges inside the environments automatically recognize the setting of the option \key{circled} so there's also no need for the charge commands.}
+\achtung{In the standard setting, \ie using \key{method}{chemformula} you should
+not use \cmd{mch} and its relatives inside the \code{reaction} environments. They
+will very likely mess with spacing. In the standard setting charges inside the
+environments automatically recognize the setting of the option \key{circled} so
+there's also no need for the charge commands.}
\subsection{Own Reactions}
You can create new types of reactions with the command:
@@ -1345,16 +1651,21 @@ You can create new types of reactions with the command:
\Befehl{DeclareChemReaction}[<keyval>]{<name>}\ma{<math name>}
\end{beschreibung}
-\code{<name>} will be the name of the new environment. \code{<math name>} is the used math environment.
+\code{<name>} will be the name of the new environment. \code{<math name>} is the
+used math environment.
The command has two options.
\begin{beschreibung}
\Option*{star}{\default{true}/false}
\Option*{arg}{\default{true}/false}
\end{beschreibung}
-There is \key*{star}, which will also define a starred version of the new environment, if the starred math environment exists. If it doesn't exist, this will cause an error.
+There is \key*{star}, which will also define a starred version of the new
+environment, if the starred math environment exists. If it doesn't exist, this
+will cause an error.
-Then there is \key*{arg}, which is used to define an environment with a mandatory argument. Of course this only works, if the used math environment has a mandatory argument.
+Then there is \key*{arg}, which is used to define an environment with a mandatory
+argument. Of course this only works, if the used math environment has a mandatory
+argument.
The predefined environments are defined via
\begin{beschreibung}
@@ -1362,7 +1673,8 @@ The predefined environments are defined via
\Befehl{DeclareChemReaction}[star]{reactions}\ma{align}.
\end{beschreibung}
-Let's suppose, you'd like to have the alignment behaviour of the \code{alignat} environment for \chemformula/\paket{mhchem} reactions. You could do the following:
+Let's suppose, you'd like to have the alignment behaviour of the \code{alignat}
+environment for \chemformula/\paket{mhchem} reactions. You could do the following:
\cmd{DeclareChemReaction}[star,arg]{reactionsat}\ma{alignat}
@@ -1380,7 +1692,8 @@ With this the \code{reactionsat} environment is defined.
\end{beispiel}
\subsection{List of Reactions}
-\chemmacros also provides a command to display a list of the reactions created with the \lstinline+reaction+ environment.
+\chemmacros also provides a command to display a list of the reactions created
+with the \lstinline+reaction+ environment.
\begin{beschreibung}
\Befehl{listofreactions}
\end{beschreibung}
@@ -1390,20 +1703,25 @@ With this the \code{reactionsat} environment is defined.
The Output of this list can be modified by two options:
\begin{beschreibung}
- \option[reaction]{list-name}{<name of the list>} Let's you set the name of the list manually. Default = \code{List of reactions}
- \option[reaction]{list-entry}{<prefix to each entry>} Let's you set a prefix to each list entry. Default = \code{Reaction}
+ \option[reaction]{list-name}{<name of the list>} Let's you set the name of the
+ list manually. Default = \code{List of reactions}
+ \option[reaction]{list-entry}{<prefix to each entry>} Let's you set a prefix to
+ each list entry. Default = \code{Reaction}
\end{beschreibung}
Both default option values recognize the package option \key[option]{german}.
Instead of using the option \key{list-name} you also could redefine \cmd{reactionlistname}.
-The list lists all reactions with a number and disregards reactions without number. All reaction environments without star have an optional argument which let's you add a description (or caption) for the entry in the list.
+The list lists all reactions with a number and disregards reactions without number.
+All reaction environments without star have an optional argument which let's you
+add a description (or caption) for the entry in the list.
\begin{beispiel}
\begin{reaction}[Autoprotolyse]
2 H2O <<=> H3O+ + OH-
\end{reaction}
\end{beispiel}
-If you use the \code{reactions} environment this will not work, though. In this case you can use
+If you use the \code{reactions} environment this will not work, though. In this
+case you can use
\begin{beschreibung}
\Befehl{AddRxnDesc}{<description>}
\end{beschreibung}
@@ -1413,7 +1731,8 @@ If you use the \code{reactions} environment this will not work, though. In this
"\Lewis{4.,\vphantom{CH}}" CH3 + Cl2 &-> CH3Cl + Cl "\Lewis{0.,\vphantom{Cl}}" \AddRxnDesc{second~step~of~chain}
\end{reactions}
\end{beispiel}
-Note: you don't have to use the phantom commands if you haven't changed the format of the atoms, see section \ref{sec:format} on page \pageref{sec:format}.
+Note: you don't have to use the phantom commands if you haven't changed the format
+of the atoms, see section~\ref{sec:format} on page~\pageref{sec:format}.
\secidx*{Reaction Environments}
\section{Phases}\label{sec:phasen}\secidx{Phases}
@@ -1426,25 +1745,34 @@ These commands are intended to indicate the phase of a compound.
\befehl{aq} \aq
\end{beschreibung}
-\achtung{The default behaviour of the phases commands has changed to be consistent with \IUPAC recommendations. Both \cmd{sld} and \cmd{lqd} have lost their optional argument.}
+\achtung{The default behaviour of the phases commands has changed to be consistent
+with \ac{iupac} recommendations. Both \cmd{sld} and \cmd{lqd} have lost their optional
+argument.}
\begin{beispiel}
\ch{C\sld{} + 2 H2O\lqd{} -> CO2\gas{} + 2 H2\gas}\\
To make it complete: NaCl\aq.
\end{beispiel}
-With the package option \key{language}{german} (see section \ref{sec:optionen}) you get the german versions.
+With the package option \key{language}{german} (see section~\ref{sec:optionen})
+you get the german versions.
-The \IUPAC recommendation to indicate the state of aggregation is to put it in parentheses after the compound \cite{iupac:greenbook}. However, you might want to put it as a subscript which is also very common.
+The \ac{iupac} recommendation to indicate the state of aggregation is to put it in
+parentheses after the compound \cite{iupac:greenbook}. However, you might want
+to put it as a subscript which is also very common.
-\begin{zitat}[{\IUPAC Green Book \cite[][p.\,54]{iupac:greenbook}}]
- The [\ldots] symbols are used to represent the states of aggregation of chemical species. The letters are appended to the formula in parentheses and should be printed in Roman (upright) type without a full stop (period).
+\begin{zitat}[{\acs{iupac} Green Book \cite[][p.\,54]{iupac:greenbook}}]
+ The [\ldots] symbols are used to represent the states of aggregation of chemical
+ species. The letters are appended to the formula in parentheses and should be
+ printed in Roman (upright) type without a full stop (period).
\end{zitat}
There are two options to customize the output:
\begin{beschreibung}
- \option[phases]{pos}{side/sub} Switch the position of the phase indicator. Default = \code{side}
- \option[phases]{space}{<dim>} Change the default spacing between compound a phase indicator if \key{pos}{side}. A \TeX\ dimension. Default = \code{.1333em}
+ \option[phases]{pos}{side/sub} Switch the position of the phase indicator.
+ Default = \code{side}
+ \option[phases]{space}{<dim>} Change the default spacing between compound a phase
+ indicator if \key{pos}{side}. A \TeX\ dimension. Default = \code{.1333em}
\end{beschreibung}
\begin{beispiel}
\chemsetup[phases]{pos=sub}
@@ -1453,13 +1781,18 @@ There are two options to customize the output:
\end{beispiel}
\subsection{Define Own Phases}\secidx[own]{Phases}
-Depending on the subject of your document you might need to indicate other states of aggregation. You can easily define them.
+Depending on the subject of your document you might need to indicate other states
+of aggregation. You can easily define them.
\begin{beschreibung}
\Befehl{DeclareChemPhase}{<cmd>}\oa{<german>}\ma{<english>}
\Befehl{RenewChemPhase}{<cmd>}\oa{<german>}\ma{<english>}
\befehl{phase}{<phase>} If you need a phase indicator just once or twice.
\end{beschreibung}
-\cmd{DeclareChemPhase} only defines a phase if \code{<cmd>} is not already used by any other command. If it \emph{is} already used \chemmacros will either give a warning or an error, depending on the option \key{strict}. \cmd{RenewChemPhase} \emph{only} defines a phase if \code{<cmd>} \emph{is} already used and issues a warning/error otherwise.
+\cmd{DeclareChemPhase} only defines a phase if \code{<cmd>} is not already used
+by any other command. If it \emph{is} already used \chemmacros will either give
+a warning or an error, depending on the option \key{strict}. \cmd{RenewChemPhase}
+\emph{only} defines a phase if \code{<cmd>} \emph{is} already used and issues a
+warning/error otherwise.
\begin{beispiel}
\DeclareChemPhase{\aqi}{aq,$\infty$}% aqueous solution at infinite dilution
\DeclareChemPhase{\cd}{cd}% condensed phase
@@ -1475,7 +1808,8 @@ Depending on the subject of your document you might need to indicate other state
\begin{beschreibung}
\Befehl{newman}[<keyval>]\da{<angle>}\ma{<1>,<2>,<3>,<4>,<5>,<6>}
\end{beschreibung}
-which allows you to create newman projections (uses \TikZ). With \code{<angle>} the back atoms are rotated counter clockwise with respect to the front atoms.
+which allows you to create newman projections (uses \TikZ). With \code{<angle>}
+the back atoms are rotated counter clockwise with respect to the front atoms.
\begin{beispiel}
\newman{} \newman(170){}
\newman{1,2,3,4,5,6} \newman{1,2,3} \newman{,,,4,5,6}
@@ -1531,8 +1865,10 @@ Depending on the type you have different options to modify the orbitals:
\option[orbital]{phase}{\default{+}/-} changes the phase of the orbital (all types)
\option[orbital]{scale}{<factor>} changes the size of the orbital (all types)
\option[orbital]{color}{<color>} changes the color of the orbital (all types)
- \option[orbital]{angle}{<angle>} rotates the orbitals with a p contribution counter clockwise (all types except \code{s})
- \option[orbital]{half}{\default{true}/false} displays only half an orbital (only \code{p})
+ \option[orbital]{angle}{<angle>} rotates the orbitals with a p contribution counter
+ clockwise (all types except \code{s})
+ \option[orbital]{half}{\default{true}/false} displays only half an orbital (only
+ \code{p})
\end{beschreibung}
\begin{beispiel}
@@ -1545,8 +1881,10 @@ Depending on the type you have different options to modify the orbitals:
Additionally there are two options, with which the \TikZ behaviour can be changed.
\begin{beschreibung}
- \option[orbital]{overlay}{\default{true}/false} the orbital \enquote{doesn't need space}; it is displayed with the \TikZ option \code{overlay}.
- \option[orbital]{opacity}{<num>} the orbital becomes transparent; \code{<value>} can have values between \code{1} (fully opaque) to \code{0} (invisible).
+ \option[orbital]{overlay}{\default{true}/false} the orbital \enquote{doesn't need
+ space}; it is displayed with the \TikZ option \code{overlay}.
+ \option[orbital]{opacity}{<num>} the orbital becomes transparent; \code{<value>}
+ can have values between \code{1} (fully opaque) to \code{0} (invisible).
\end{beschreibung}
\begin{beispiel}[dist]
\hspace{1cm}
@@ -1577,7 +1915,8 @@ Additionally there are two options, with which the \TikZ behaviour can be change
\part{\texorpdfstring{\Chemformula}{chemformula}}\chemsetup[chemformula]{format=}\secidx{CHEMFORMULA}\label{part:chemformula}
\section{Setup}
-All of \chemformula's options belong to the module \textcolor{module}{\code{chemformula}}. This means they can be setup with
+All of \chemformula's options belong to the module \textcolor{module}{\code{chemformula}}.
+This means they can be setup with
\begin{beispiel}[code only]
\chemsetup[chemformula]{<options>} or
\chemsetup{chemformula/<option1>,chemformula/<option2>}
@@ -1607,11 +1946,14 @@ The usage will seem very familiar to you if you're familiar with \paket{mhchem}:
\ch{KCr(SO4)2 * 12 H2O}
\end{beispiel}
-However, there are differences. The most notable one: \chemformula distinguishes between different types of input. These different parts \emph{have} to be seperated with blanks:
+However, there are differences. The most notable one: \chemformula distinguishes
+between different types of input. These different parts \emph{have} to be seperated
+with blanks:
\begin{beschreibung}
\Befehl{ch}{part1 part2 part3 part4}
\end{beschreibung}
-A blank in the input \emph{never} is a blank in the output. This role of the blank strictly holds and disregarding it can have unexpected results and even lead to errors.
+A blank in the input \emph{never} is a blank in the output. This role of the blank
+strictly holds and disregarding it can have unexpected results and even lead to errors.
Another notable difference: \chemformula tries to avoid math mode whenever possible:
\begin{beispiel}
@@ -1619,14 +1961,24 @@ Another notable difference: \chemformula tries to avoid math mode whenever possi
\ce{A + B ->[a] C}
\end{beispiel}
-This means that \cmd{ch}{2H2O} is recognized as a \emph{single} part, which in this case is recognized as a compound.
+This means that \cmd{ch}{2H2O} is recognized as a \emph{single} part, which in
+this case is recognized as a compound.
\begin{beispiel}
\ch{2H2O} \\
\ch{2 H2O}
\end{beispiel}
-This also means, that a part cannot contain a blank since this will automatically divide it into two parts. If you need an extra blank in the output you need to use \lstinline+~+. However, since commands in most cases gobble a space after them a input like \cmd{ch}{\textbackslash command ABC} will be treated as a single part. If you want or need to divide them you need to add an empty group: \cmd{ch}{\textbackslash command\{\} ABC}. The different input types are described in the following sections.
+This also means, that a part cannot contain a blank since this will automatically
+divide it into two parts. If you need an extra blank in the output you need to use
+\lstinline+~+. However, since commands in most cases gobble a space after them a
+input like \cmd{ch}{\textbackslash command ABC} will be treated as a single part.
+If you want or need to divide them you need to add an empty group:
+\cmd{ch}{\textbackslash command\{\} ABC}. The different input types are described
+in the following sections.
-There are some options to customize the output of the \cmd{ch} command. They can either be applied locally using the optional argument or can be set globally using the setup command. All options of \chemformula belong to the module \textcolor{module}{\code{chemformula}}.
+There are some options to customize the output of the \cmd{ch} command. They can
+either be applied locally using the optional argument or can be set globally using
+the setup command. All options of \chemformula belong to the module
+\textcolor{module}{\code{chemformula}}.
\begin{beschreibung}
\Befehl{chemsetup}[chemformula]{<options>}
\end{beschreibung}
@@ -1646,34 +1998,44 @@ A stoichiometric factor may only contain of numbers and the signs \lstinline+.,_
\ch{1_1/2}
\end{beispiel}
-You have to be a little bit careful with the right syntax but I believe it is rather intuitive.
+You have to be a little bit careful with the right syntax but I believe it is
+rather intuitive.
\begin{beispiel}[code only]
this won't work but will result in an error: \ch{1/1_1}
\end{beispiel}
-If stoichiometric factors are enclosed with parentheses the fractions are not recognized. What's inside the parenthesis is typeset as is. \begin{beispiel}
+If stoichiometric factors are enclosed with parentheses the fractions are not
+recognized. What's inside the parenthesis is typeset as is.
+\begin{beispiel}
\ch{(1/2) H2O} \ch{1/2 H2O} \ch{0.5 H2O}
\end{beispiel}
-You can find many examples like the following for stoichiometric factors in parentheses in the \IUPAC Green Book \cite{iupac:greenbook}:
+You can find many examples like the following for stoichiometric factors in
+parentheses in the \acs{iupac} Green Book~\cite{iupac:greenbook}:
\begin{reaction*}
(1/5) K "\ox*{7,Mn}" O4 + (8/5) HCl == (1/5) "\ox*{2,Mn}" Cl2 + (1/2) Cl2 + (1/5) KCl + (4/5) H2O
\end{reaction*}
There are a few possibilities to customize the output.
\begin{beschreibung}
- \option{decimal-marker}{<marker>} the symbol to indicate the decimal. Default = \code{.}
- \option{frac-style}{math/xfrac/nicefrac} determines how fractions are displayed. Default = \code{math}
- \option{stoich-space}{<dim>} The space that is placed after the stoichiometric factor. Default = \code{.1667em}
+ \option{decimal-marker}{<marker>} the symbol to indicate the decimal. Default =
+ \code{.}
+ \option{frac-style}{math/xfrac/nicefrac} determines how fractions are displayed.
+ Default = \code{math}
+ \option{stoich-space}{<dim>} The space that is placed after the stoichiometric
+ factor. Default = \code{.1667em}
\end{beschreibung}
\begin{beispiel}
\ch[decimal-marker={,}]{3.5} \ch[decimal-marker={$\cdot$}]{3,5}
\end{beispiel}
-The option \key{frac-style}{xfrac} uses the \lstinline+\sfrac+ command of the \paket{xfrac} package. The output strongly depends on the font you use.\secidx[xfrac]{Stoichiometric Factors}
+The option \key{frac-style}{xfrac} uses the \lstinline+\sfrac+ command of the
+\paket{xfrac} package. The output strongly depends on the font you use.\secidx[xfrac]{Stoichiometric Factors}
\begin{beispiel}
\ch[frac-style=xfrac]{3/2} \ch[frac-style=xfrac]{1_1/2}
\end{beispiel}
-\chemformula defines the instance \lstinline=formula-text-frac= which you can redefine to your needs. See the \paket{xfrac} documentation for further information. The default definition is this:
+\chemformula defines the instance \lstinline=formula-text-frac= which you can
+redefine to your needs. See the \paket{xfrac} documentation for further information.
+The default definition is this:
\begin{beispiel}[code only]
\DeclareInstance{xfrac}{chemformula-text-frac}{text}
{
@@ -1693,12 +2055,14 @@ This document uses the font Linux Libertine and the following definition:
}
\end{beispiel}
-The option \key{frac-style}{nicefrac} uses the \lstinline+\nicefrac+ command of the \paket{nicefrac} package.\secidx[nicefrac]{Stoichiometric Factors}
+The option \key{frac-style}{nicefrac} uses the \lstinline+\nicefrac+ command of
+the \paket{nicefrac} package.\secidx[nicefrac]{Stoichiometric Factors}
\begin{beispiel}
\ch[frac-style=nicefrac]{3/2} \ch[frac-style=nicefrac]{1_1/2}
\end{beispiel}
-The option \key{stoich-space} allows you to customize the space between stoichiometric factor and the group following after it.\secidx[space]{Stoichiometric Factors}
+The option \key{stoich-space} allows you to customize the space between
+stoichiometric factor and the group following after it.\secidx[space]{Stoichiometric Factors}
\begin{beispiel}
\ch{2 H2O} \\
\ch[stoich-space=.3em]{2 H2O}
@@ -1706,7 +2070,8 @@ The option \key{stoich-space} allows you to customize the space between stoichio
\secidx*{Stoichiometric Factors}
\section{Compounds}\label{ssec:compounds}\secidx{Compounds}
-\chemformula determines compounds as the type that \enquote{doesn't fit in anywhere else}. This point will become more clear when you know what the other types are.
+\chemformula determines compounds as the type that ``doesn't fit in anywhere else.''
+This point will become more clear when you know what the other types are.
\begin{beispiel}
\ch{H2SO4} \\
\ch{[Cu(NH3)4]^2+}
@@ -1722,7 +2087,9 @@ The option \key{stoich-space} allows you to customize the space between stoichio
\ch{CaSO4.H2O} \\
\ch{CaSO4*H2O}
\end{beispiel}
-Since numbers in a compound always are treated as subscripts (see section \ref{ssec:subscripts}) you sometimes need to introduce stoichiometric factors for the right output:
+Since numbers in a compound always are treated as subscripts (see
+section~\ref{ssec:subscripts}) you sometimes need to introduce stoichiometric
+factors for the right output:
\begin{beispiel}
\ch{Na3PO4*12H2O} \\
\ch{Na3PO4* 12 H2O} \\
@@ -1749,21 +2116,30 @@ Commands are allowed in a compound:
\begin{beispiel}
\ch{\textbf{A2}B3} \ch{A2\color{red}B3}
\end{beispiel}
-However, if the commands demand numbers as argument, \eg space commands or \chemmacros' \lstinline+\ox+ command the direct use will fail. This is because the numbers are treated as subscripts \emph{before} the command expands.
+However, if the commands demand numbers as argument, \eg space commands or
+\chemmacros' \lstinline+\ox+ command the direct use will fail. This is because
+the numbers are treated as subscripts \emph{before} the command expands.
\begin{beispiel}[code only]
- \ch{A\hspace{2mm}B} will raise an error because \hspace sees something like this: \hspace{$_2$mm}.
+ \ch{A\hspace{2mm}B} will raise an error because \hspace sees something like
+ this: \hspace{$_2$mm}. Actually not at all like it but equally bad\ldots
\end{beispiel}
-See section \ref{ssec:text} for a way around this.
+See section~\ref{ssec:text} for a way around this.
\subsection{Charges and Other Superscripts}\secidx[charges]{Compounds}\secidx[superscripts]{Compounds}
\paragraph{Basics}
-If a compound \emph{ends} with a plus or minus sign it will be treated as charge sign and typeset as superscript. In other places a plus is treated as a triple bond and a dash will be used as a single bond, see section \ref{ssec:bonds}.
+If a compound \emph{ends} with a plus or minus sign it will be treated as charge
+sign and typeset as superscript. In other places a plus is treated as a triple
+bond and a dash will be used as a single bond, see section~\ref{ssec:bonds}.
\begin{beispiel}
\ch{A+B} \ch{AB+} \\
\ch{A-B} \ch{AB-}
\end{beispiel}
-For longer charge groups or other superscripts you can use the math syntax. It recognizes groups and you can use math inside them. Inside these groups neither \code{+} nor \code{-} are treated as bonds. If a dot \code{.} is inside a superscript it is treated as indicator for a radical. A \code{*} gives the excited state.
+For longer charge groups or other superscripts you can use the math syntax. It
+recognizes groups and you can use math inside them. Inside these groups neither
+\code{+} nor \code{-} are treated as bonds. If a dot \code{.} is inside a
+superscript it is treated as indicator for a radical. A \code{*} gives the
+excited state.
\begin{beispiel}
\ch{A^{x-}} \\
\ch{A^x-} \\
@@ -1782,26 +2158,35 @@ Ions and ion composites with more than one charge can be typeset quite as easy:
\end{beispiel}
\paragraph{Charge Commands}\secidx[superscripts!charge commands]{Compounds}
-You don't need to use \cmd{mch} and related commands inside \cmd{ch}. Indeed, you \emph{shouldn't} use them as they might mess with the subscript and superscript alignment. The \chemmacros option \code{circled} is obeyed by \cmd{ch}.
+You don't need to use \cmd{mch} and related commands inside \cmd{ch}. Indeed,
+you \emph{shouldn't} use them as they might mess with the subscript and superscript
+alignment. The \chemmacros option \code{circled} is obeyed by \cmd{ch}.
\begin{beispiel}
\chemsetup[option]{circled=all}
\ch{H+ + OH- <=> H2O}
\end{beispiel}
\paragraph{Behaviour}\secidx[superscripts!behaviour]{Compounds}
-The supercripts behave differently depending on their position in a compound, if there are super- and subscripts following each other directly.
+The supercripts behave differently depending on their position in a compound, if
+there are super- and subscripts following each other directly.
\begin{beispiel}
\ch{^33B} \ch{{}^33B} \ch{3^3B} \ch{B^3} \ch{B3^3} \\
\ch{^{23}_{123}B} \ch{{}^{23}_{123}B} \ch{_{123}^{23}B} \ch{B^{23}} \ch{B_{123}^{23}} \\
\ch{^{123}_{23}B} \ch{{}^{123}_{23}B} \ch{_{23}^{123}B} \ch{B^{123}} \ch{B23^{123}}
\end{beispiel}
\begin{itemize}
- \item If a compound \emph{starts} with a sub- or superscript both sub- and superscript are aligned to the \emph{right} else to the \emph{left}.
- \item If a \emph{does not start} with a sub- or superscript and there is both a sub- and a superscript, the superscript is shifted additionally by a length determined from the option \key{charge-hshift}{<dim>}, also see page \pageref{desc:charge-hshift}f.
+ \item If a compound \emph{starts} with a sub- or superscript both sub- and
+ superscript are aligned to the \emph{right} else to the \emph{left}.
+ \item If a compound \emph{does not start} with a sub- or superscript and there
+ is both a sub- and a superscript, the superscript is shifted additionally by a
+ length determined from the option \key{charge-hshift}{<dim>}, also see
+ page~\pageref{desc:charge-hshift}f.
\end{itemize}
-The second point follows \IUPAC's recommendations:
-\begin{zitat}[{\IUPAC Green Book \cite[][p.\,51]{iupac:greenbook}}]
- In writing the formula for a complex ion, spacing for charge number can be added (staggered arrangement), as well as parentheses: \ch[charge-hshift=full]{SO4^2-}, \ch{(SO4)^2-} The staggered arrangement is now recommended.
+The second point follows \ac{iupac}'s recommendations:
+\begin{zitat}[{\acs{iupac} Green Book \cite[][p.\,51]{iupac:greenbook}}]
+ In writing the formula for a complex ion, spacing for charge number can be added
+ (staggered arrangement), as well as parentheses: \ch[charge-hshift=full]{SO4^2-},
+ \ch{(SO4)^2-} The staggered arrangement is now recommended.
\end{zitat}
\subsection{Bonds}\label{ssec:bonds}\secidx[bonds]{Compounds}
@@ -1812,19 +2197,29 @@ There are three kinds of bonds:
triple: \ch{CH+CH}
\end{beispiel}
-\subsection{Customization}\secidx[customization]{Compounds}
+\subsection{Customization}\secidx[customization]{Compounds}\label{ssec:compounds:customization}% TODO Jonas (label neu)
These options allow you to customize the ouptut of the compounds:
\begin{beschreibung}
- \option{subscript-vshift}{<dim>} Extra vertical shift of the subscripts. Default = \code{0pt}
- \option{subscript-style}{text/math} Style that is used to typeset the subscripts. Default = \code{text}
- \option{charge-hshift}{<dim>} Shift of superscripts when following a subscript. Default = \code{.5ex}\label{desc:charge-hshift}
- \option{charge-vshift}{<dim>} Extra vertical shift of the superscripts. Default = \code{0pt}
- \option{charge-style}{text/math} Style that is used to typeset the superscripts. Default = \code{text}
- \option{adduct-space}{<dim>} Space to the left and the right of the adduct point. Default = \code{.1333em}
- \option{bond-length}{<dim>} The length of the bonds. Default is the length of an endash as measured by \lstinline+\settowidth{<len>}{\textendash}+.
- \option{bond-offset}{<dim>} Space between bond and atoms. Default = \code{0pt}
-\end{beschreibung}
-Maybe you have noticed that charges of certain ions are shifted to the right.\secidx[charges!shift]{Compounds} They are shifted if they \emph{follow} a subscript which follows \IUPAC recommendations \cite[][p.\,51]{iupac:greenbook}. The amount of the shift can be set with the option \key{charge-hshift}.
+ \option{subscript-vshift}{<dim>} Extra vertical shift of the subscripts. Default
+ = \code{0pt}
+ \option{subscript-style}{text/math} Style that is used to typeset the subscripts.
+ Default = \code{text}
+ \option{charge-hshift}{<dim>} Shift of superscripts when following a subscript.
+ Default = \code{.5ex}\label{desc:charge-hshift}
+ \option{charge-vshift}{<dim>} Extra vertical shift of the superscripts.
+ Default = \code{0pt}
+ \option{charge-style}{text/math} Style that is used to typeset the superscripts.
+ Default = \code{text}
+ \option{adduct-space}{<dim>} Space to the left and the right of the adduct point.
+ Default = \code{.1333em}
+ \option{bond-length}{<dim>} The length of the bonds. Default = \code{1.1667ex} % TODO Jonas
+ \option{bond-offset}{<dim>} Space between bond and atoms. Default = \code{.07em} % TODO Jonas
+ \option{bond-style}{<tikz>} \TikZ\ options for the single bond. Initially empty. % TODO Jonas
+\end{beschreibung}
+Maybe you have noticed that charges of certain ions are shifted to the right.\secidx[charges!shift]{Compounds}
+They are shifted if they \emph{follow} a subscript which follows \ac{iupac}
+recommendations~\cite[][p.\,51]{iupac:greenbook}. The amount of the shift can be
+set with the option \key{charge-hshift}.
\begin{beispiel}
\ch{SO4^2-} \ch{NH4+} \ch{Na+} \\
\chemsetup[chemformula]{charge-hshift=.5ex}
@@ -1833,7 +2228,11 @@ Maybe you have noticed that charges of certain ions are shifted to the right.\se
\ch{SO4^2-} \ch{NH4+} \ch{Na+}
\end{beispiel}
-Despite \IUPAC's recommendation \chemformula does not make a fully staggered arrangements in the default setting as I find it hard to read in some cases and ugly in others. Since this is a subjective decision \chemformula not only let's you define the absolute amount of the shift but also provides a possibility for full staggered arrangements. For this you have to use \key{charge-hshift}{full}.
+Despite \ac{iupac}'s recommendation \chemformula does not make fully staggered
+arrangements in the default setting as I find it hard to read in some cases and
+ugly in others. Since this is a subjective decision \chemformula not only let's
+you define the absolute amount of the shift but also provides a possibility for
+full staggered arrangements. For this you have to use \key{charge-hshift}{full}.
\begin{beispiel}
\ch[charge-hshift=0pt]{C5H11+} \ch[charge-hshift=0pt]{SO4^2-} \\
\ch{C5H11+} \ch{SO4^2-} \\
@@ -1841,14 +2240,16 @@ Despite \IUPAC's recommendation \chemformula does not make a fully staggered arr
\ch[charge-hshift=full]{C5H11+} \ch[charge-hshift=full]{SO4^2-}
\end{beispiel}
-If you don't want the charges to be typeset in text mode you can switch to math mode:
+If you don't want the charges to be typeset in text mode you can switch to math
+mode:
\begin{beispiel}
\ch{M^x+} \ch{SO4^2-} \\
\chemsetup[chemformula]{charge-style = math}
\ch{M^x+} \ch{SO4^2-}
\end{beispiel}
-The option \key{subscript-vshift} can be used to adjust the vertical shift of the subscripts:\secidx[subscripts!shift]{Compounds}
+The option \key{subscript-vshift} can be used to adjust the vertical shift of
+the subscripts:\secidx[subscripts!shift]{Compounds}
\begin{beispiel}
\ch{H2SO4} \ch{Na3PO4} \\
\chemsetup[chemformula]{subscript-vshift=.5ex}
@@ -1857,14 +2258,16 @@ The option \key{subscript-vshift} can be used to adjust the vertical shift of th
\ch{H2SO4} \ch{Na3PO4}
\end{beispiel}
-You can choose the mode subscripts are typeset in the same way as it is possible for the charges:
+You can choose the mode subscripts are typeset in the same way as it is possible
+for the charges:
\begin{beispiel}
\ch{A_nB_m} \ch{H2SO4} \\
\chemsetup[chemformula]{subscript-style = math}
\ch{A_nB_m} \ch{H2SO4}
\end{beispiel}
-The option \key{adduct-space} sets the space left and right to the adduct symbol $\cdot$.
+The option \key{adduct-space} sets the space left and right to the adduct symbol
+$\cdot$.
\begin{beispiel}
\ch{Na3PO3*H2O} \\
\chemsetup[chemformula]{adduct-space=.2em}
@@ -1890,12 +2293,15 @@ You can change the distance between bond and atom, too:
There are some \enquote{special type} input groups.
\subsection{Single Token Groups}\secidx[single token groups]{Special Types}
-The first kind are groups which consist of only one token, namely of the following ones:
+The first kind are groups which consist of only one token, namely of the
+following ones:
\begin{beschreibung}
- \befehl{ch}{ + } \ch{+} creates the plus sign between compounds with space around it:\\
- \cmd{ch}{2 Na + Cl2} \ch{2 Na + Cl2}
+ \befehl{ch}{ + } \ch{+} creates the plus sign between compounds with space
+ around it:\\
+ \cmd{ch}{2 Na + Cl2} \ch{2 Na + Cl2}
\befehl{ch}{ v } \ch{v} sign for precipitate: \cmd{ch}{BaSO4 v} \ch{BaSO4 v}
- \befehl{ch}{ \lstinline+^+ } \ch{^} sign for escaping gas\footnotemark: \cmd{ch}{\lstinline=H2 ^=} \ch{H2 ^}
+ \befehl{ch}{ \lstinline+^+ } \ch{^} sign for escaping gas\footnotemark:
+ \cmd{ch}{\lstinline=H2 ^=} \ch{H2 ^}
\end{beschreibung}
\footnotetext{Is this the correct English term? Please correct me if it isn't.}
@@ -1910,14 +2316,17 @@ The space left and right of the plus sign can be set with this option:
\subsection{Option Input}\secidx[option input]{Special Types}
\achtung{This is an experimental feature and may well be dropped in future versions.}
-Sometimes you might want to apply an option only to a part of a, say, reaction. Of course you have the possibility to use \cmd{ch} several times.
+Sometimes you might want to apply an option only to a part of a, say, reaction.
+Of course you have the possibility to use \cmd{ch} several times.
\begin{beispiel}
\ch{H2O +}\textcolor{red}{\ch{H2SO4}}\ch{-> H3O+ + HSO4-} \\
\ch{H2O +}\ch[subscript-vshift=2pt]{H2SO4}\ch{-> H3O+ + HSO4-}
\end{beispiel}
-This, however, interrupts the input in your source and \emph{may} mess with the spacing. That's why there is an alternative:
+This, however, interrupts the input in your source and \emph{may} mess with the
+spacing. That's why there is an alternative:
\begin{beschreibung}\makeatletter
- \befehl{ch}{ @\{<options>\} } The options specified this way will be valid \emph{only} until the next compound is set.
+ \befehl{ch}{ @\{<options>\} } The options specified this way will be valid
+ \emph{only} until the next compound is set.
\end{beschreibung}
\begin{beispiel}
\ch{H2O +}\textcolor{red}{\ch{H2SO4}}\ch{-> H3O+ + HSO4-} \\
@@ -1930,9 +2339,12 @@ This, however, interrupts the input in your source and \emph{may} mess with the
\secidx*{Special Types}
\section{Escaped Input}\secidx{Escaped Input}
-In some cases it may be desirable to prevent \chemformula from parsing the input. This can be done in two ways.
+In some cases it may be desirable to prevent \chemformula from parsing the input.
+This can be done in two ways.
\subsection{Text}\label{ssec:text}\secidx[text]{Escaped Input}
-If you put something between \lstinline+" "+ or \lstinline+' '+ then the input will be treated as normal text, except that spaces are not allowed and have to be input with \lstinline+~+.
+If you put something between \lstinline+" "+ or \lstinline+' '+ then the input
+will be treated as normal text, except that spaces are not allowed and have to be
+input with \lstinline+~+.
\begin{beschreibung}
\Befehl{ch}{ "<escaped text>" }
\Befehl{ch}{ '<escaped text>' }
@@ -1942,10 +2354,12 @@ If you put something between \lstinline+" "+ or \lstinline+' '+ then the input w
\ch{"\ldots\," Na + "\ldots\," Cl2 -> "\ldots\," NaCl} \\
\ch{'A~->~B'}
\end{beispiel}
-In many cases you won't need to escape the input. But when you get into trouble when using a command inside \cmd{ch} try hiding it.
+In many cases you won't need to escape the input. But when you get into trouble
+when using a command inside \cmd{ch} try hiding it.
\subsection{Math}\secidx[math]{Escaped Input}
-If you especially want to input math you just enclose it with \lstinline+$ $+. This output is different from the escaped text as it is followed by a space.
+If you especially want to input math you just enclose it with \lstinline+$ $+.
+This output is different from the escaped text as it is followed by a space.
\begin{beschreibung}\catcode`\$=11
\Befehl{ch}{ $<escaped math>$ }
\end{beschreibung}
@@ -1969,7 +2383,8 @@ The space that is inserted after a math group can be edited:
\section{Arrows}\label{sec:arrows}\secidx{Arrows}
\subsection{Arrow types}\secidx[types]{Arrows}
-Arrows are input in the same intuitive way they are with \paket{mhchem}. There are various different types:
+Arrows are input in the same intuitive way they are with \paket{mhchem}. There
+are various different types:
\begin{beschreibung}
\befehl{ch}{ -> } \ch{->} standard right arrow
\befehl{ch}{ <- } \ch{<-} standard left arrow
@@ -2004,14 +2419,22 @@ The arrows take two optional arguments to label them.
\ch{A ->[a][b] B} \\
\ch{A ->[\SI{100}{\celsius}] B}
\end{beispiel}
-The label text can be parsed seperately from the arrow. The recipe is easy: leave blanks.
+The label text can be parsed seperately from the arrow. The recipe is easy: leave
+blanks.
\begin{beispiel}
\ch{A ->[H2O] B} \\
\ch{A ->[ H2O ] B} \\
\ch{A ->[ "\ox{2,Ca}" F2 ] B} \\
\ch{A ->[$\Delta$,~ \[H+ \]] B}
\end{beispiel}
-If you leave the blanks \chemformula treats the groups inside the square brackets as seperated input types. The arrow reads its arguments \emph{afterwards}. As you can see the arrows \enquote{grow} with the length of the labels. What stays constant is the part that protrudes the labels. As you also can see in the last example square brackets inside the arrow arguments should be produced using \cmd{[} and \cmd{]}. They keep their usual meaning outside \cmd{ch}. These commands are necessary since the usual grouping (\ie hiding the brackets inside curly brackets) doesn't work due to the way \cmd{ch} reads its argument.
+If you leave the blanks \chemformula treats the groups inside the square brackets
+as seperated input types. The arrow reads its arguments \emph{afterwards}. As you
+can see the arrows \enquote{grow} with the length of the labels. What stays
+constant is the part that protrudes the labels. As you also can see in the last
+example square brackets inside the arrow arguments should be produced using \cmd{[}
+and \cmd{]}. They keep their usual meaning outside \cmd{ch}. These commands are
+necessary since the usual grouping (\ie hiding the brackets inside curly brackets)
+doesn't work due to the way \cmd{ch} reads its argument.
\begin{beispiel}
\ch{A ->[a] B} \\
\ch{A ->[ab] B} \\
@@ -2026,15 +2449,24 @@ If you leave the blanks \chemformula treats the groups inside the square bracket
\subsection{Customization}\secidx[customization]{Arrows}
These are the options which enable you to customize the arrows:
\begin{beschreibung}
- \option{arrow-offset}{<dim>} This is the length that an arrow protrudes a label on both sides. This means an empty arrow's length is two times \code{arrow-offset}. Default = \code{1.5ex}
- \option{arrow-yshift}{<dim>} Shifts an arrow up (positive value) or down (negative value). Default = \code{0pt}
- \option{arrow-ratio}{<factor>} The ratio of the arrow lengths of the unbalanced equilibrium. \code{.4} would mean that the length of the shorter arrow is $0.4\times$ the length of the longer arrow. Default = \code{.6}
- \option{compound-sep}{<dim>} The space between compounds and the arrows. Default = \code{1ex}
- \option{label-offset}{<dim>} The space between the labels and the arrows. Default = \code{2pt}
- \option{label-style}{<font command>} The relative font size of the labels. Default = \lstinline+\footnotesize+
-\end{beschreibung}
-
-The following code shows the effect of the different options on the \lstinline+<=>>+ arrow:
+ \option{arrow-offset}{<dim>} This is the length that an arrow protrudes a label
+ on both sides. This means an empty arrow's length is two times \code{arrow-offset}.
+ Default = \code{1.5ex}
+ \option{arrow-yshift}{<dim>} Shifts an arrow up (positive value) or down (negative
+ value). Default = \code{0pt}
+ \option{arrow-ratio}{<factor>} The ratio of the arrow lengths of the unbalanced
+ equilibrium. \code{.4} would mean that the length of the shorter arrow is
+ $0.4\times$ the length of the longer arrow. Default = \code{.6}
+ \option{compound-sep}{<dim>} The space between compounds and the arrows.
+ Default = \code{1ex}
+ \option{label-offset}{<dim>} The space between the labels and the arrows.
+ Default = \code{2pt}
+ \option{label-style}{<font command>} The relative font size of the labels.
+ Default = \lstinline+\footnotesize+
+\end{beschreibung}
+
+The following code shows the effect of the different options on the \lstinline+<=>>+
+arrow:
\begin{beispiel}
standard: \ch{A <=>>[x][y] B} \\
longer: \ch[arrow-offset=12pt]{A <=>>[x][y] B} \\
@@ -2050,17 +2482,22 @@ The arrows are defined with the command
\begin{beschreibung}
\Befehl{DeclareChemArrow}{<tokens>}\ma{<tikz>}
\end{beschreibung}
-\ma{<tokens>} is the sequence of tokens that is replaced with the actual arrow code. For example the basic arrow is defined via
+\ma{<tokens>} is the sequence of tokens that is replaced with the actual arrow code.
+For example the basic arrow is defined via
\begin{beispiel}[code only]
\DeclareChemArrow{->}{\draw[-cf] (cf_arrow_start) -- (cf_arrow_end) ;}
\end{beispiel}
-In order to define arrows yourself you need to know the basics of \TikZ\footnote{Please see the \textsf{pgfmanual} for details.}. There are some predefined coordinates you can and should use:
+In order to define arrows yourself you need to know the basics of \TikZ\footnote{Please
+see the \textsf{pgfmanual} for details.}. There are some predefined coordinates
+you can and should use:
\begin{description}
\item[\code{(cf\_arrow\_start)}] The beginning of the arrow.
\item[\code{(cf\_arrow\_end)}] The end of the arrow.
\item[\code{(cf\_arrow\_mid)}] The mid of the arrow.
- \item[\code{(cf\_arrow\_mid\_start)}] The beginning of the shorter arrow in types like \lstinline+<=>>+.
- \item[\code{(cf\_arrow\_mid\_end)}] The end of the shorter arrow in types like \lstinline+<=>>+.
+ \item[\code{(cf\_arrow\_mid\_start)}] The beginning of the shorter arrow in
+ types like \lstinline+<=>>+.
+ \item[\code{(cf\_arrow\_mid\_end)}] The end of the shorter arrow in types like
+ \lstinline+<=>>+.
\item[\code{cf}, \code{left cf}, \code{right cf}] \chemformula's own arrow heads.
\end{description}
\begin{beispiel}
@@ -2073,7 +2510,8 @@ If you want to redefine an existing arrow there are two commands you can use:
\Befehl{RenewChemArrow}{<tokens>}\ma{<tikz>}
\Befehl{ShowChemArrow}{<tokens>}
\end{beschreibung}
-The second one gives the current definition, the first one redefines an existing arrow.
+The second one gives the current definition, the first one redefines an existing
+arrow.
\begin{beispiel}
\texttt{\ShowChemArrow{->}} \\
\RenewChemArrow{->}{\draw[->,red] (cf_arrow_start) -- (cf_arrow_end) ;}
@@ -2084,15 +2522,19 @@ The second one gives the current definition, the first one redefines an existing
\section{Names}\secidx{Names}
\subsection{Syntax}\secidx[syntax]{Names}
-\chemformula has a built-in syntax to write text under a compound. In a way it works very similar to the arrows.
+\chemformula has a built-in syntax to write text under a compound. In a way it
+works very similar to the arrows.
\begin{beschreibung}
\Befehl{ch}{ !(<name>)( <formula> ) }
\end{beschreibung}
-If an exclamation mark is followed by a pair of parentheses \chemformula will parse it this way:
+If an exclamation mark is followed by a pair of parentheses \chemformula will
+parse it this way:
\begin{beispiel}
\ch{!(ethanol)( CH2CH2OH )}
\end{beispiel}
-The same what's true for the arrows arguments holds for these arguments: if you leave blanks the different parts will be treated according to their input type before the text is set below the formula.
+The same what's true for the arrows arguments holds for these arguments: if you
+leave blanks the different parts will be treated according to their input type
+before the text is set below the formula.
\begin{beispiel}
\ch{!(water)(H2O)} \quad
\ch{!( "\textcolor{blue}{water}" )( H2O )} \quad
@@ -2100,7 +2542,8 @@ The same what's true for the arrows arguments holds for these arguments: if you
\ch{!( H2O )( H2O )} \quad
\ch{!(oxonium)( H3O+ )}
\end{beispiel}
-If for some reason you want to insert an exclamation mark \emph{without} it creating a name you only have to make sure it isn't followed by parentheses.
+If for some reason you want to insert an exclamation mark \emph{without} it
+creating a name you only have to make sure it isn't followed by parentheses.
\begin{beispiel}
\ch{H2O~(!)} \\
\ch{A!{}()}
@@ -2109,8 +2552,11 @@ If for some reason you want to insert an exclamation mark \emph{without} it crea
\subsection{Customization}\secidx[customization]{Names}
\chemformula provides two options to customize the output of the names:
\begin{beschreibung}
- \option{name-format}{<commands>} The format of the name. This can be arbitrary input. Default = \lstinline+\scriptsize\centering+
- \option{name-width}{<dim>/auto} The width of the box where the label is put into. \code{auto} will detect the width of the name and set the box to this width. Default = \code{auto}
+ \option{name-format}{<commands>} The format of the name. This can be arbitrary
+ input. Default = \lstinline+\scriptsize\centering+
+ \option{name-width}{<dim>/auto} The width of the box where the label is put into.
+ \code{auto} will detect the width of the name and set the box to this width.
+ Default = \code{auto}
\end{beschreibung}
\begin{beispiel}
\ch{!(acid)( H2SO4 ) -> B} \\
@@ -2121,7 +2567,8 @@ If for some reason you want to insert an exclamation mark \emph{without} it crea
\secidx*{Names}
\section{Format and Font}\secidx{Format and Font}\label{sec:format}
-In the standard setting \chemformula doesn't make any default changes to the font of the formula output. Let's take a look at a nonsense input which shows all features:
+In the standard setting \chemformula doesn't make any default changes to the font
+of the formula output. Let's take a look at a nonsense input which shows all features:
\begin{beispiel}
\newcommand*\sample{\ch{H2C-C+C-CH=CH+ + CrO4^2- <=>[x][y] 2.5 Cl^{-.} + 3_1/2 Na*OH_{(aq)} + !(name)( A^n ) "\LaTeXe"}}
\sample
@@ -2150,9 +2597,12 @@ If you want to change the default format you need to use this option:
You can also specifically change the fontfamily, fontseries and fontshape of the output.
\begin{beschreibung}
- \option{font-family}{<family>} Changes the fontfamily of the output with \lstinline+\fontfamily{<family>}\selectfont+.
- \option{font-series}{<series>} Changes the fontseries of the output with \lstinline+\fontseries{<series>}\selectfont+.
- \option{font-shape}{<shape>} Changes the fontshape of the output with \lstinline+\fontshape{<shape>}\selectfont+.
+ \option{font-family}{<family>} Changes the fontfamily of the output with
+ \lstinline+\fontfamily{<family>}\selectfont+.
+ \option{font-series}{<series>} Changes the fontseries of the output with
+ \lstinline+\fontseries{<series>}\selectfont+.
+ \option{font-shape}{<shape>} Changes the fontshape of the output with
+ \lstinline+\fontshape{<shape>}\selectfont+.
\end{beschreibung}
\begin{beispiel}
\chemsetup[chemformula]{font-series=bx}
@@ -2162,7 +2612,8 @@ You can also specifically change the fontfamily, fontseries and fontshape of the
\itshape Hallo \sample
\end{beispiel}
-If you're using \hologo{XeLaTeX} or \hologo{LuaLaTeX} and have loaded \paket{fontspec} you have the possibilty to set the font with it:
+If you're using \hologo{XeLaTeX} or \hologo{LuaLaTeX} and have loaded \paket{fontspec}
+you have the possibilty to set the font with it:
\begin{beschreibung}
\Option{font-spec}{\{<font>\}} or with options
\Option{font-spec}{\{[<options>]<font>\}}
@@ -2178,7 +2629,9 @@ If you're using \hologo{XeLaTeX} or \hologo{LuaLaTeX} and have loaded \paket{fon
\secidx*{Format and Font}
\section{Usage In Math Equations}\secidx{Math Environments}
-The \cmd{ch} command can be used inside math equations. It recognizes \lstinline+\\+ and \lstinline+&+ and passes them on. However, you can't use the optional arguments of \lstinline+\\+ inside \cmd{ch}.
+The \cmd{ch} command can be used inside math equations. It recognizes
+\lstinline+\\+ and \lstinline+&+ and passes them on. However, you can't use the
+optional arguments of \lstinline+\\+ inside \cmd{ch}.
\begin{beispiel}
\begin{align}
\ch{
@@ -2235,7 +2688,8 @@ This section presents some examples of a possible usage.
\end{reactions*}
\end{beispiel}
-The following example shows how the cancelling of compounds could be done\footnote{Inspired by a question on TeX.SE: \url{http://tex.stackexchange.com/q/30118/5049}}.
+The following example shows how the cancelling of compounds could be done%
+\footnote{Inspired by a question on TeX.SE: \url{http://tex.stackexchange.com/q/30118/5049}}.
\begin{beispiel}
% needs `cancel'
\begin{align*}
@@ -2249,7 +2703,8 @@ The following example shows how the cancelling of compounds could be done\footno
\part{\texorpdfstring{\Ghsystem}{ghsystem}}\secidx{GHSYSTEM}\label{part:ghsystem}
\section{Setup}
-All of \ghsystem's options belong to the module \textcolor{module}{\code{ghsystem}}. This means they can be setup with
+All of \ghsystem's options belong to the module \textcolor{module}{\code{ghsystem}}.
+This means they can be setup with
\begin{beispiel}[code only]
\chemsetup[ghsystem]{<options>} or
\chemsetup{ghsystem/<option1>,ghsystem/<option2>}
@@ -2259,10 +2714,10 @@ All of \ghsystem's options belong to the module \textcolor{module}{\code{ghsyste
\subsection{Simple Statements}\secidx[get statements]{GHSYSTEM}
The general usage is simple: you use the command
\begin{beschreibung}
- \Befehl{ghs}[<options>]{<type>}\ma{<number>}
- \Befehl[ghsa]{ghs*}[<options>]{<type>}\ma{<number>}
+ \Befehl{ghs}*[<options>]{<type>}\ma{<number>}
\end{beschreibung}
-There are three types available: \code{h}, \code{euh} and \code{p}. The \ma{<type>} argument is case insensitive, so just type them in as you like.
+There are three types available: \code{h}, \code{euh} and \code{p}. The \ma{<type>}
+argument is case insensitive, so just type them in as you like.
\begin{beispiel}
\ghs{h}{200} \\
\ghs{H}{224} \\
@@ -2271,7 +2726,8 @@ There are three types available: \code{h}, \code{euh} and \code{p}. The \ma{<typ
\ghs{p}{201}
\end{beispiel}
-The starred version hides the identifier and only gives the statement. If you want to hide the statement itself instead you can use the option:
+The starred version hides the identifier and only gives the statement. If you want
+to hide the statement itself instead you can use the option:
\begin{beschreibung}
\Option{hide}{\default{true}/false}
\end{beschreibung}
@@ -2290,13 +2746,15 @@ There is an option to customize the output, too.
\subsection{Statements with Placeholders}\secidx[statements with placeholders]{GHSYSTEM}
Some of the statements contain placeholders. They can be one of the following:
\begin{itemize}
- \item \textit{\textless state route of exposure if it is conclusively proven that no other routes of exposure cause the hazard\textgreater}
+ \item \textit{\textless state route of exposure if it is conclusively proven that
+ no other routes of exposure cause the hazard\textgreater}
\item \textit{\textless state specific effect if known\textgreater}
\item \textit{\textless or state all organs affected, if known\textgreater}
\item \textit{\textless name of sensitising substance\textgreater}
\end{itemize}
-Except the last one which needs to be filled in, they are hidden per default. They can be made visible with the option
+Except the last one which needs to be filled in, they are hidden per default. They
+can be made visible with the option
\begin{beschreibung}
\option{fill-in}{\default{true}/false} Show placeholders. Default = \code{false}
\end{beschreibung}
@@ -2344,33 +2802,39 @@ These gaps can be filled using these options:
\Option{lbs-mass}{<num>}
\end{beschreibung}
\begin{beispiel}
- \ghs[dots=contact physician!]{p}{301} \\
- \ghs[text=here]{p}{401} \\
+ \ghs[text=contact physician!]{p}{301} \\
+ \ghs[dots=here]{p}{401} \\
\ghs[C-temperature=50, F-temperature=122]{p}{411} \\
\ghs[kg-mass=5.0, lbs-mass=11, C-temperature=50, F-temperature=122]{p}{413}
\end{beispiel}
\subsection{Combined Statements}\secidx[combined statements]{GHSYSTEM}
-There are some combinations of statements. They are input with a \code{+} between the numbers:
+There are some combinations of statements. They are input with a \code{+} between
+the numbers:
\begin{beispiel}[below]
\ghs{p}{235+410} \\
\ghs{p}{301+330+331}
\end{beispiel}
-Note that you can only get combinations that officially exist. \emph{You can't combine freely}.
+Note that you can only get combinations that officially exist. \emph{You can't
+combine freely}.
\secidx*{Hazard and Precautionary Statements}
\section{Pictograms}\secidx{Pictograms}
\subsection{The Pictures}
-The GHS defines a number of pictograms:
+The \ac{ghs} defines a number of pictograms:
-\ghspic{explos} \ghspic{flame} \ghspic{flame-O} \ghspic{bottle} \ghspic{acid} \ghspic{skull} \ghspic{exclam} \ghspic{health} \ghspic{aqpol}
+\ghspic{explos} \ghspic{flame} \ghspic{flame-O} \ghspic{bottle} \ghspic{acid}
+\ghspic{skull} \ghspic{exclam} \ghspic{health} \ghspic{aqpol}
The command
\begin{beschreibung}
\Befehl{ghspic}[<options>]{<name>}
-\end{beschreibung}
-loads them. \ref{tab:ghs_pictograms} shows all available pictograms and their names. To be more precise: it shows the names to use with the \cmd{ghspic} command. The file names are \lstinline=ghsystem_<name>.<filetype>= where \code{<filetype>} is \code{eps}, \code{jpg} or \code{png}, see also section \ref{ssec:picture_type}.
+\end{beschreibung}% TODO Jonas
+loads them. \ref{tab:ghs_pictograms} shows all available pictograms and their names.
+To be more precise: it shows the names to use with the \cmd{ghspic} command. The
+file names are \lstinline=ghsystem_<name>.<filetype>= where \code{<filetype>} is
+\code{eps}, \code{pdf}, \code{jpg} or \code{png}, see also section~\ref{ssec:picture_type}.
\begin{beispiel}
\ghspic{skull}
\end{beispiel}
@@ -2379,12 +2843,14 @@ If you don't like the default size you can change it using this option:
\begin{beschreibung}
\option{scale}{<factor>} Scales the pictogram. Default = \code{1}
\end{beschreibung}
-The pictures are actually quite large. The default setting scales them by a factor of $\frac{1}{20}$.
+The pictures are actually quite large. The default setting scales them by a factor
+of $\frac{1}{20}$.
\begin{beispiel}
\ghspic[scale=2]{skull}
\end{beispiel}
-If you want to use some specific \lstinline=\includegraphics= options, \eg if you want to rotate the pictogram for soma reason, use this option:
+If you want to use some specific \lstinline=\includegraphics= options, \eg if you
+want to rotate the pictogram for some reason, use this option:
\begin{beschreibung}
\Option{includegraphics}{\{<includegraphics keyvals>\}}
\end{beschreibung}
@@ -2393,7 +2859,7 @@ If you want to use some specific \lstinline=\includegraphics= options, \eg if yo
\end{beispiel}
\begin{longtable}{>{\ttfamily}ll>{\ttfamily}ll}
- \caption{All available GHS pictograms.\label{tab:ghs_pictograms}} \\
+ \caption{All available \ac{ghs} pictograms.\label{tab:ghs_pictograms}} \\
\toprule
\normalfont\bfseries name & \bfseries pictogram & \normalfont\bfseries name & \bfseries pictogram \\
\midrule\endfirsthead
@@ -2423,18 +2889,27 @@ If you want to use some specific \lstinline=\includegraphics= options, \eg if yo
\end{longtable}
\subsection{Picture Type Depending on Engine}\label{ssec:picture_type}
-As you probably know you can't use every picture type with every compiler engine. \pdfTeX\ in \textsc{dvi} mode \emph{needs} \code{eps} pictures while \pdfTeX\ in \textsc{pdf} mode, \XeTeX\ and \LuaTeX\ convert \code{eps} pictures into \code{pdf} files, given they have the rights to write in the directory the pictures are saved in.
+As you probably know you can't use every picture type with every compiler engine.
+\hologo{pdfTeX} in \textsc{dvi} mode \emph{needs} \code{eps} pictures while
+\hologo{pdfTeX} in \textsc{pdf} mode, \hologo{XeTeX} and \hologo{LuaTeX} convert
+\code{eps} pictures into \code{pdf} files, given they have the rights to write in
+the directory the pictures are saved in.
-However, the latter can include \code{jpg} and \code{png} without any problems, while \pdfTeX\ in \textsc{dvi} mode can't.
+However, the latter can include \code{jpg} and \code{png} without any problems,
+while \hologo{pdfTeX} in \textsc{dvi} mode can't.
-To resolve this \ghsystem tests which engine is used and if \pdfTeX\ which mode is used and then chooses either \code{eps} or \code{png} for the pictograms. You are free to choose the picture type yourself with the option
+To resolve this \ghsystem tests which engine is used and if \hologo{pdfTeX} which
+mode is used and then chooses either \code{eps} or \code{pdf} for the pictograms.
+You are free to choose the picture type yourself with the option
\begin{beschreibung}
- \Option{pic-type}{eps/jpg/png}
+ \Option{pic-type}{eps/pdf/jpg/png}% TODO Jonas
\end{beschreibung}
\secidx*{Pictograms}
\section{Available Languages}\label{sec:ghsystem_language}
-Right now the H and P statements are only available in English, German or Italian. The package adapts the package option \key[option]{german} but does not (yet) recognize language settings by \paket{babel} or \paket{polyglossia}.
+Right now the H and P statements are only available in English, German or Italian.
+The package adapts the package option \key[option]{german} but does not (yet)
+recognize language settings by \paket{babel} or \paket{polyglossia}.
You can also choose the language explicitly.
\begin{beschreibung}
@@ -2447,7 +2922,11 @@ You can also choose the language explicitly.
\ghs{h}{201}
\end{beispiel}
-I will add other languages some time in future. This may take a while, though. If you would be willing to contribute and write the statements of another language please feel free to contact me\footnote{\href{mailto:contac@mychemistry.eu}{contact@mychemistry.eu}}. I would provide you with a template file, a \code{pdf} containing the official translations, and help to all your questions.
+I will add other languages some time in future. This may take a while, though.
+If you would be willing to contribute and write the statements of another language
+please feel free to contact me\footnote{\href{mailto:contac@mychemistry.eu}{contact@mychemistry.eu}}.
+I would provide you with a template file, a \code{pdf} containing the official
+translations, and help to all your questions.
\section{List of All Statements}\secidx{List of All Statements}
If for some reason you want to list all sentences you can use
@@ -2455,20 +2934,32 @@ If for some reason you want to list all sentences you can use
\Befehl{ghslistall}[<options>]
\end{beschreibung}
-This command has a number of options to customize the table, which is created with the \lstinline=longtable= environment of the \paket{longtable} package.
+This command has a number of options to customize the table, which is created with
+the \lstinline=longtable= environment of the \paket{longtable} package.
\begin{beschreibung}
\option{table-head-number}{<text>} Default = \code{Identifier}
\option{table-head-text}{<text>} Default = \code{Statement}
\option{table-next-page}{<text>} Default = \code{continues on next page}
- \option{table-caption}{<text>} As \code{<text>} in \lstinline=\caption{<text>}=. Default = \code{All H, EUH, and P Statements.}
+ \option{table-caption}{<text>} As \code{<text>} in \lstinline=\caption{<text>}=.
+ Default = \code{All H, EUH, and P Statements.}
\option{table-caption-short}{<text>} As \code{<short>} in \lstinline=\caption[<short>]{<text>}=.
- \option{table-label}{<text>} The label to refer to the table with \lstinline=\ref= and similar commands. Default = \code{tab:ghs-hp-statements}
- \option{table-row-sep}{<dim>} The separation of the table rows. A \TeX\ dimension. Default = \code{3pt}
- \option{table-rules}{\default{default}/booktabs/none} The style of the horizontal rules in the table. \code{default} uses \lstinline=\hline=, \code{booktabs} uses \lstinline=\toprule=, \lstinline=\midrule= or \lstinline=\bottomrule=, resp. This option needs the \paket{booktabs} package which you have to load yourself then. Default = \code{default}
- \option{table-top-head-rule}{\default{default}/booktabs/none} Change top rule explicitly. Default = \code{default}
- \option{table-head-rule}{\default{default}/booktabs/none} Change rule below head explicitly. Default = \code{default}
- \option{table-foot-rule}{\default{default}/booktabs/none} Change foot rule explicitly. Default = \code{default}
- \option{table-last-foot-rule}{\default{default}/booktabs/none} Change last foot rule explicitly. Default = \code{default}
+ \option{table-label}{<text>} The label to refer to the table with \lstinline=\ref=
+ and similar commands. Default = \code{tab:ghs-hp-statements}
+ \option{table-row-sep}{<dim>} The separation of the table rows. A \TeX\ dimension.
+ Default = \code{3pt}
+ \option{table-rules}{\default{default}/booktabs/none} The style of the horizontal
+ rules in the table. \code{default} uses \lstinline=\hline=, \code{booktabs} uses
+ \lstinline=\toprule=, \lstinline=\midrule= or \lstinline=\bottomrule=, resp.
+ This option needs the \paket{booktabs} package which you have to load yourself
+ then. Default = \code{default}
+ \option{table-top-head-rule}{\default{default}/booktabs/none} Change top rule
+ explicitly. Default = \code{default}
+ \option{table-head-rule}{\default{default}/booktabs/none} Change rule below head
+ explicitly. Default = \code{default}
+ \option{table-foot-rule}{\default{default}/booktabs/none} Change foot rule
+ explicitly. Default = \code{default}
+ \option{table-last-foot-rule}{\default{default}/booktabs/none} Change last foot
+ rule explicitly. Default = \code{default}
\end{beschreibung}
The code below shows how \ref{tab:ghs-hp-statements} was created:
@@ -2483,12 +2974,15 @@ The code below shows how \ref{tab:ghs-hp-statements} was created:
\part{Appendix}\index{APPENDIX@\textbf{APPENDIX}}
\addsec{Overview: Options and Customization}\label{sec:overview}\secidx{Option Overview (chemmacros)}
\minisec{Options}
-In the table below all options provided by \chemmacros for customization are listed. All options that belong to a module can be set with
+In the table below all options provided by \chemmacros for customization are listed.
+All options that belong to a module can be set with
\begin{beschreibung}
\Befehl{chemsetup}[<module>]{<keyval>} or
\Befehl{chemsetup}{<module>/<keyval>}.
\end{beschreibung}
-Some options can be set without value. Then the \default{underlined} value is used. The options belonging to the modules \code{\textcolor{module}{chemformula}} and \code{\textcolor{module}{ghsystem}} are not listed here.
+Some options can be set without value. Then the \default{underlined} value is used.
+The options belonging to the modules \code{\textcolor{module}{chemformula}} and
+\code{\textcolor{module}{ghsystem}} are not listed here.
\small
\begin{longtable}{>{\ttfamily\color{key}\hspace{5mm}}l>{\ttfamily\color{module}}l>{\ttfamily}l>{\ttfamily}ll}
\toprule
@@ -2501,136 +2995,147 @@ Some options can be set without value. Then the \default{underlined} value is us
\bottomrule
\endfoot
\multicolumn{5}{l}{package options:} \\
- bpchem & option & \default{true}/false & false & page \pageref{key:option_bpchem} \\
- circled & option & formal/\default{all}/none & formal & page \pageref{key:option_circled} \\
- circletype & option & chem/math & chem & page \pageref{key:option_circletype} \\
- cmversion & option & 1/2/bundle & bundle & page \pageref{key:option_cmversion} \\
- ghsystem & option & \default{true}/false & true & page \pageref{key:option_ghsystem} \\
- iupac & option & auto/restricted/strict & auto & page \pageref{key:option_iupac} \\
- language & option & <language> & english & page \pageref{key:option_language} \\
- method & option & chemformula/formula & formula & page \pageref{key:option_method} \\
- Nu & option & chemmacros/mathspec & chemmacros & page \pageref{key:option_Nu} \\
- strict & option & \default{true}/false & false & page \pageref{key:option_strict} \\
- synchronize & option & \default{true}/false & false & page \pageref{key:option_synchronize} \\
- greek & option & math/textgreek/\default{upgreek} & upgreek & page \pageref{key:option_greek} \\
- version & option & & & page \pageref{key:option_version} \\
- xspace & option & \default{true}/false & true & page \pageref{key:option_xspace} \\
+ bpchem & option & \default{true}/false & false & page~\pageref{key:option_bpchem} \\
+ circled & option & formal/\default{all}/none & formal & page~\pageref{key:option_circled} \\
+ circletype & option & chem/math & chem & page~\pageref{key:option_circletype} \\
+ cmversion & option & 1/2/bundle & bundle & page~\pageref{key:option_cmversion} \\
+ ghsystem & option & \default{true}/false & true & page~\pageref{key:option_ghsystem} \\
+ iupac & option & auto/restricted/strict & auto & page~\pageref{key:option_iupac} \\
+ language & option & <language> & english & page~\pageref{key:option_language} \\
+ method & option & chemformula/formula & formula & page~\pageref{key:option_method} \\
+ Nu & option & chemmacros/mathspec & chemmacros & page~\pageref{key:option_Nu} \\
+ strict & option & \default{true}/false & false & page~\pageref{key:option_strict} \\
+ synchronize & option & \default{true}/false & false & page~\pageref{key:option_synchronize} \\
+ greek & option & math/textgreek/\default{upgreek} & upgreek & page~\pageref{key:option_greek} \\
+ version & option & & & page~\pageref{key:option_version} \\
+ xspace & option & \default{true}/false & true & page~\pageref{key:option_xspace} \\
\multicolumn{5}{l}{\cmd{ba}, \cmd{Nu}:} \\
- elpair & particle & \default{dots}/dash/false & false & page \pageref{key:particle_elpair} \\
- \multicolumn{5}{l}{IUPAC commands:} \\
- break-space & iupac & <dim> & .01em & page \pageref{key:iupac_break-space} \\
- bridge-number & iupac & sub/super & sub & page \pageref{key:iupac_bridge-number} \\
- coord-use-hyphen & iupac & \default{true}/false & true & page \pageref{key:iupac_coord-use-hyphen} \\
- hyphen-pre-space & iupac & <dim> & .01em & page \pageref{key:iupac_hyphen-pre-space} \\
- hyphen-post-space & iupac & <dim> & -.03em & page \pageref{key:iupac_hyphen-post-space} \\
+ elpair & particle & \default{dots}/dash/false & false & page~\pageref{key:particle_elpair} \\
+ \multicolumn{5}{l}{\ac{iupac} commands:} \\
+ break-space & iupac & <dim> & .01em & page~\pageref{key:iupac_break-space} \\
+ bridge-number & iupac & sub/super & sub & page~\pageref{key:iupac_bridge-number} \\
+ cip-kern & iupac & <dim> & .1ex & page~\pageref{key:iupac_cip-kern} \\
+ coord-use-hyphen & iupac & \default{true}/false & true & page~\pageref{key:iupac_coord-use-hyphen} \\
+ hyphen-pre-space & iupac & <dim> & .01em & page~\pageref{key:iupac_hyphen-pre-space} \\
+ hyphen-post-space & iupac & <dim> & -.03em & page~\pageref{key:iupac_hyphen-post-space} \\
\multicolumn{5}{l}{\cmd{DeclareChemLatin}:} \\
- format & latin & <anything> & \lstinline=\itshape= & page \pageref{key:latin_format} \\
+ format & latin & <anything> & \lstinline=\itshape= & page~\pageref{key:latin_format} \\
\multicolumn{5}{l}{\cmd{pch}, \cmd{mch}, \cmd{fpch}, \cmd{fmch}:} \\
- append & charges & \default{true}/false & false & page \pageref{key:charges_append} \\
+ append & charges & \default{true}/false & false & page~\pageref{key:charges_append} \\
\multicolumn{5}{l}{acid/base:} \\
- p-style & acid-base & slanted/italics/upright & upright & page \pageref{key:acid-base_p-style} \\
+ p-style & acid-base & slanted/italics/upright & upright & page~\pageref{key:acid-base_p-style} \\
\multicolumn{5}{l}{\cmd{ox}:} \\
- parse & ox & \default{true}/false & true & page \pageref{key:ox_parse} \\
- roman & ox & \default{true}/false & true & page \pageref{key:ox_roman} \\
- pos & ox & top/super/side & top & page \pageref{key:ox_pos} \\
- explicit-sign & ox & \default{true}/false & false & page \pageref{key:ox_explicit-sign} \\
- decimal-marker & ox & comma/point & point & page \pageref{key:ox_decimal-marker} \\
+ parse & ox & \default{true}/false & true & page~\pageref{key:ox_parse} \\
+ roman & ox & \default{true}/false & true & page~\pageref{key:ox_roman} \\
+ pos & ox & top/super/side & top & page~\pageref{key:ox_pos} \\
+ explicit-sign & ox & \default{true}/false & false & page~\pageref{key:ox_explicit-sign} \\
+ decimal-marker & ox & comma/point & point & page~\pageref{key:ox_decimal-marker} \\
\multicolumn{5}{l}{\cmd{OX}, \cmd{redox}:} \\
- dist & redox & <dim> & .6em & page \pageref{key:redox_dist} \\
- sep & redox & <dim> & .2em & page \pageref{key:redox_sep} \\
+ dist & redox & <dim> & .6em & page~\pageref{key:redox_dist} \\
+ sep & redox & <dim> & .2em & page~\pageref{key:redox_sep} \\
\multicolumn{5}{l}{\cmd{Enthalpy}, \cmd{Entropy}, \cmd{Gibbs}:} \\
- exponent & & <anything> & \cmd{standardstate} & page \pageref{key:none_exponent} \\
- delta & & <anything>/false & & page \pageref{key:none_delta} \\
- subscript & & left/right & & page \pageref{key:none_subscript} \\
- unit & & <unit> & & page \pageref{key:none_unit} \\
+ exponent & & <anything> & \cmd{standardstate} & page~\pageref{key:none_exponent} \\
+ delta & & <anything>/false & & page~\pageref{key:none_delta} \\
+ subscript & & left/right & & page~\pageref{key:none_subscript} \\
+ unit & & <unit> & & page~\pageref{key:none_unit} \\
\multicolumn{5}{l}{\cmd{DeclareChemState}, \cmd{RenewChemState}:} \\
- exponent & & <anything> & \cmd{standardstate} & page \pageref{key:none_exponent} \\
- delta & & <anything>/false & & page \pageref{key:none_delta} \\
- subscript & & <anything> & & page \pageref{key:none_subscript} \\
- subscript-left & & \default{true}/false & & page \pageref{key:none_subscript-left} \\
+ exponent & & <anything> & \cmd{standardstate} & page~\pageref{key:none_exponent} \\
+ delta & & <anything>/false & & page~\pageref{key:none_delta} \\
+ subscript & & <anything> & & page~\pageref{key:none_subscript} \\
+ subscript-left & & \default{true}/false & & page~\pageref{key:none_subscript-left} \\
\multicolumn{5}{l}{\cmd{State}:} \\
- exponent & state & <anything> & \cmd{standardstate} & page \pageref{key:state_exponent} \\
- delta & state & <anything>/false & & page \pageref{key:state_delta} \\
- subscript-left & state & \default{true}/false & & page \pageref{key:state_subscript-left} \\
+ exponent & state & <anything> & \cmd{standardstate} & page~\pageref{key:state_exponent} \\
+ delta & state & <anything>/false & & page~\pageref{key:state_delta} \\
+ subscript-left & state & \default{true}/false & & page~\pageref{key:state_subscript-left} \\
\multicolumn{5}{l}{\cmd{NMR}:} \\
- unit & nmr & <unit> & \cmd{mega}\cmd{hertz} & page \pageref{key:nmr_unit} \\
- nucleus & nmr & \{<num>,<atom symbol>\} & \{1,H\} & page \pageref{key:nmr_nucleus} \\
- format & nmr & <anything> & & page \pageref{key:nmr_format} \\
- pos-number & nmr & side/sub & side & page \pageref{key:nmr_pos-number} \\
- coupling-unit & nmr & <unit> & \lstinline+\hertz+ & page \pageref{key:nmr_coupling-unit} \\
- parse & nmr & \default{true}/false & true & page \pageref{key:nmr_parse} \\
- delta & nmr & <anything> & & page \pageref{key:nmr_delta} \\
- list & nmr & \default{true}/false & false & page \pageref{key:nmr_list} \\
- list-setup & nmr & & see text & page \pageref{key:nmr_list-setup} \\
- use-equal & nmr & \default{true}/false & true & page \pageref{key:nmr_use-equal} \\
+ unit & nmr & <unit> & \cmd{mega}\cmd{hertz} & page~\pageref{key:nmr_unit} \\
+ nucleus & nmr & \{<num>,<atom symbol>\} & \{1,H\} & page~\pageref{key:nmr_nucleus} \\
+ format & nmr & <anything> & & page~\pageref{key:nmr_format} \\
+ pos-number & nmr & side/sub & side & page~\pageref{key:nmr_pos-number} \\
+ coupling-unit & nmr & <unit> & \lstinline+\hertz+ & page~\pageref{key:nmr_coupling-unit} \\
+ parse & nmr & \default{true}/false & true & page~\pageref{key:nmr_parse} \\
+ delta & nmr & <anything> & & page~\pageref{key:nmr_delta} \\
+ list & nmr & \default{true}/false & false & page~\pageref{key:nmr_list} \\
+ list-setup & nmr & & see text & page~\pageref{key:nmr_list-setup} \\
+ use-equal & nmr & \default{true}/false & true & page~\pageref{key:nmr_use-equal} \\
\multicolumn{5}{l}{\cmd{DeclareChemReaction}:} \\
- star & & \default{true}/false & false & page \pageref{key:none_star} \\
- arg & & \default{true}/false & false & page \pageref{key:none_arg} \\
- list-name & reaction & <anything> & List of reactions & page \pageref{key:reaction_list-name} \\
- list-entry & reaction & <anything> & Reaction & page \pageref{key:reaction_list-entry} \\
+ star & & \default{true}/false & false & page~\pageref{key:none_star} \\
+ arg & & \default{true}/false & false & page~\pageref{key:none_arg} \\
+ list-name & reaction & <anything> & List of reactions & page~\pageref{key:reaction_list-name} \\
+ list-entry & reaction & <anything> & Reaction & page~\pageref{key:reaction_list-entry} \\
\multicolumn{5}{l}{\cmd{mhName}:} \\
- align & mhName & <alignment> & \cmd{centering} & page \pageref{key:mhName_align} \\
- format & mhName & <commands> & & page \pageref{key:mhName_format} \\
- fontsize & mhName & <fontsize> & \cmd{tiny} & page \pageref{key:mhName_fontsize} \\
- width & mhName & <dim> & & page \pageref{key:mhName_width} \\
+ align & mhName & <alignment> & \cmd{centering} & page~\pageref{key:mhName_align} \\
+ format & mhName & <commands> & & page~\pageref{key:mhName_format} \\
+ fontsize & mhName & <fontsize> & \cmd{tiny} & page~\pageref{key:mhName_fontsize} \\
+ width & mhName & <dim> & & page~\pageref{key:mhName_width} \\
\multicolumn{5}{l}{phases:} \\
- pos & phases & side/sub & side & page \pageref{key:phases_pos} \\
- space & phases & <dim> & .1333em & page \pageref{key:phases_space} \\
+ pos & phases & side/sub & side & page~\pageref{key:phases_pos} \\
+ space & phases & <dim> & .1333em & page~\pageref{key:phases_space} \\
\multicolumn{5}{l}{\cmd{newman}:} \\
- angle & newman & <angle> & 0 & page \pageref{key:newman_angle} \\
- scale & newman & <factor> & 1 & page \pageref{key:newman_scale} \\
- ring & newman & <tikz> & & page \pageref{key:newman_ring} \\
- atoms & newman & <tikz> & & page \pageref{key:newman_atoms} \\
- back-atoms & newman & <tikz> & & page \pageref{key:newman_back-atoms} \\
+ angle & newman & <angle> & 0 & page~\pageref{key:newman_angle} \\
+ scale & newman & <factor> & 1 & page~\pageref{key:newman_scale} \\
+ ring & newman & <tikz> & & page~\pageref{key:newman_ring} \\
+ atoms & newman & <tikz> & & page~\pageref{key:newman_atoms} \\
+ back-atoms & newman & <tikz> & & page~\pageref{key:newman_back-atoms} \\
\multicolumn{5}{l}{\cmd{orbital} \ttfamily <type> = s/p/sp/sp2/sp3:} \\
- phase & orbital/<type> & +/- & + & page \pageref{key:orbital_phase} \\
- scale & orbital/<type> & <factor> & 1 & page \pageref{key:orbital_scale} \\
- color & orbital/<type> & <color> & black & page \pageref{key:orbital_color} \\
- angle & orbital/<type> & <angle> & 90 & page \pageref{key:orbital_angle} \\
- half & orbital/p & \default{true}/false & false & page \pageref{key:orbital_half} \\
- overlay & orbital & \default{true}/false & false & page \pageref{key:orbital_overlay} \\
- opacity & ornital & <num> & 1 & page \pageref{key:orbital_opacity}
+ phase & orbital/<type> & +/- & + & page~\pageref{key:orbital_phase} \\
+ scale & orbital/<type> & <factor> & 1 & page~\pageref{key:orbital_scale} \\
+ color & orbital/<type> & <color> & black & page~\pageref{key:orbital_color} \\
+ angle & orbital/<type> & <angle> & 90 & page~\pageref{key:orbital_angle} \\
+ half & orbital/p & \default{true}/false & false & page~\pageref{key:orbital_half} \\
+ overlay & orbital & \default{true}/false & false & page~\pageref{key:orbital_overlay} \\
+ opacity & ornital & <num> & 1 & page~\pageref{key:orbital_opacity}
\end{longtable}
\normalsize
\minisec{Commands}
-Quite a number of commands has been presented with which the possibilities of \chemmacros can be expanded. They are listed below for a quick overview.
+Quite a number of commands has been presented with which the possibilities of
+\chemmacros can be expanded. They are listed below for a quick overview.
\begin{beschreibung}
- \befehl{DeclareChemArrow} Define new arrow, see page \pageref{cmd:DeclareChemArrow}.
+ \befehl{DeclareChemArrow} Define new arrow, see page~\pageref{cmd:DeclareChemArrow}.
\befehl{RenewChemArrow} Redefine existing arrow.
- \befehl{DeclareChemIUPAC} Define new IUPAC command, see page \pageref{cmd:DeclareChemIUPAC}.
- \befehl{RenewChemIUPAC} Redefine IUPAC command.
- \befehl{DeclareChemLatin} Define new latin phrases, see page \pageref{cmd:DeclareChemLatin}.
+ \befehl{DeclareChemIUPAC} Define new \ac{iupac} command, see page~\pageref{cmd:DeclareChemIUPAC}.
+ \befehl{RenewChemIUPAC} Redefine \ac{iupac} command.
+ \befehl{DeclareChemLatin} Define new latin phrases, see page~\pageref{cmd:DeclareChemLatin}.
\befehl{RenewChemLatin} Redefine latin phrases.
- \befehl{DeclareChemNMR} Define new NMR command, see page \pageref{cmd:DeclareChemNMR}.
+ \befehl{DeclareChemNMR} Define new NMR command, see page~\pageref{cmd:DeclareChemNMR}.
\befehl{RenewChemNMR} Redefine NMR command.
- \befehl{DeclareChemParticle} Define new particle, see page \pageref{cmd:DeclareChemParticle}.
+ \befehl{DeclareChemParticle} Define new particle, see page~\pageref{cmd:DeclareChemParticle}.
\befehl{RenewChemParticle} Redefine particle.
- \befehl{DeclareChemPhase} Define new phases command, see page \pageref{cmd:DeclareChemPhase}.
+ \befehl{DeclareChemPhase} Define new phases command, see page~\pageref{cmd:DeclareChemPhase}.
\befehl{RenewChemPhase} Redefine phases command.
- \befehl{DeclareChemReaction} Define new reaction environment, see page \pageref{cmd:DeclareChemReaction}.
- \befehl{DeclareChemState} Define new state command, see page \pageref{cmd:DeclareChemState}.
+ \befehl{DeclareChemReaction} Define new reaction environment, see page~\pageref{cmd:DeclareChemReaction}.
+ \befehl{DeclareChemState} Define new state command, see page~\pageref{cmd:DeclareChemState}.
\befehl{RenewChemState} Redefine state command.
\end{beschreibung}
\secidx*{Option Overview (chemmacros)}
\addsec{Suggestions and Bug Reports}\addcontentsline{toc}{section}{Suggestions and Bug Reports}
-Feedback on \chemmacros, \chemformula and \ghsystem is highly appreciated and welcome! Especially \chemformula and \ghsystem are still in beta testing phase so even if I repeat myself: feedback is highly welcome.
+Feedback on \chemmacros, \chemformula and \ghsystem is highly appreciated and
+welcome! Especially \chemformula and \ghsystem are still in beta testing phase
+so even if I repeat myself: feedback is highly welcome.
-If you have suggestions for macros, missing features \etc, please don't hesitate to contact me. If you recognize any errors, be it chemical ones, wrong documentation and the like, I'd be grateful about a short email\footnote{\href{mailto:contact@mychemistry.eu}{contact@mychemistry.eu}}.
+If you have suggestions for macros, missing features \etc, please don't hesitate
+to contact me. If you recognize any errors, be it chemical ones, wrong documentation
+and the like, I'd be grateful about a short email%
+\footnote{\href{mailto:contact@mychemistry.eu}{contact@mychemistry.eu}}.
-If you find any bugs, it would be best, if you'd send me a minimal example, with which I can reproduce the bug. You can also submit an issue on \url{https://bitbucket.org/cgnieder/chemmacros/} instead.
+If you find any bugs, it would be best, if you'd send me a minimal example, with
+which I can reproduce the bug. You can also submit an issue on
+\url{https://bitbucket.org/cgnieder/chemmacros/} instead.
-Many thanks to all the people who already provided me with feedback, especially (in alphabetical order):
+Many thanks to all the people who already provided me with feedback, especially
+(in alphabetical order):
\begin{itemize}
\item \href{http://www.mathannotated.com/}{Peter Cao}
\item Christina Lüdigk
\item Dr.\@ Paul King
- \item Jonas Rivetti (Special thanks for his translation of the hazard and precautionary statements into Italian!)
+ \item Jonas Rivetti (Special thanks for his translation of the hazard and
+ precautionary statements into Italian!)
\item Christoph Schäfer
\end{itemize}
-\printbibliography
+{\EmbracOff\printbibliography}
{\catcode`\^=11 \catcode`\#=11
\printindex}
diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.pdf b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.pdf
new file mode 100644
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+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.pdf
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diff --git a/Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.tex b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.tex
new file mode 100644
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--- /dev/null
+++ b/Master/texmf-dist/doc/latex/chemmacros/chemmacros_it.tex
@@ -0,0 +1,2667 @@
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+% -----------------------------------------------------------------------------
+% - the CHEMMACROS bundle
+% - chemmacros_it.tex
+% - macros and commands for chemists
+% -----------------------------------------------------------------------------
+% - Clemens Niederberger
+% - 2012/05/18
+% -----------------------------------------------------------------------------
+% - https://bitbucket.org/cgnieder/chemmacros/
+% - contact@mychemistry.eu
+% -----------------------------------------------------------------------------
+% - If you have any ideas, questions, suggestions or bugs to report, please
+% - feel free to contact me.
+% -----------------------------------------------------------------------------
+% - Copyright 2011-2012 Clemens Niederberger
+% -
+% - This work may be distributed and/or modified under the
+% - conditions of the LaTeX Project Public License, either version 1.3
+% - of this license or (at your option) any later version.
+% - The latest version of this license is in
+% - http://www.latex-project.org/lppl.txt
+% - and version 1.3 or later is part of all distributions of LaTeX
+% - version 2005/12/01 or later.
+% -
+% - This work has the LPPL maintenance status `maintained'.
+% -
+% - The Current Maintainer of this work is Clemens Niederberger.
+% -----------------------------------------------------------------------------
+%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
+%
+% if you want to compile this documentation
+% a) you'll need the document class `cnpkgdoc' which you can get here:
+% https://bitbucket.org/cgnieder/cnpkgdoc/
+% the class is licensed LPPL 1.3 or later
+% b) you need the following compilation order:
+% > xelatex chemmacros_de (2 or probably 3 times)
+% > biber chemmacros_de
+% > makeindex -sl index_de.ist chemmacros_de.idx
+% > xelatex chemmacros_de
+%
+\documentclass[DIV11,toc=index,toc=bib]{cnpkgdoc}
+\docsetup{
+ pkg = chemmacros,
+ title = Il bundle \Chemmacros,
+ language = it,
+ subtitle = {I pacchetti \Chemmacros, \Chemformula\ e \Ghsystem},
+ modules = true,
+ code-box = {skipabove=1ex,skipbelow=1ex}
+}
+\usepackage{polyglossia}
+ \setmainlanguage{italian}
+\usepackage{chemfig,chemstyle,upgreek,textgreek,booktabs,cancel,fnpct}
+\usepackage[version=3]{mhchem}
+\usepackage{hologo}
+
+\chemsetup[option]{synchronize,language=italian}
+\colorlet{chemformula}{darkgray}
+
+\usepackage{filecontents}
+\begin{filecontents}{index_it.ist}
+ preamble "\\begin{theindex}\n I titoli sono posti in \\textbf{grassetto}, i pacchetti \\textsf{senza grazie}, i comandi in \\code{\\textbackslash\\textcolor{code}{marrone}}, le opzioni in \\textcolor{key}{\\code{verde}} e i moduli (solo per \\chemmacros) in \\textcolor{module}{\\code{rosso}}.\\newline\n\n"
+ heading_prefix "{\\bfseries "
+ heading_suffix "\\hfil}\\nopagebreak\n"
+ headings_flag 1
+ delim_0 "\\dotfill "
+ delim_1 "\\dotfill "
+ delim_2 "\\dotfill "
+ delim_r "\\textendash"
+ suffix_2p "\\nohyperpage{\\,f.}"
+ suffix_3p "\\nohyperpage{\\,ff.}"
+\end{filecontents}
+
+\usepackage[backend=biber,style=alphabetic,maxbibnames=20]{biblatex}
+\addbibresource{\jobname.bib}
+\begin{filecontents}{\jobname.bib}
+@book{iupac:greenbook,
+ author = {E. Richard Cohan and Tomislav Cvita\v{s} and Jeremy G. Frey and Bertil Holmström and Kozo Kuchitsu and Roberto Marquardt and Ian Mills and Franco Pavese and Martin Quack and Jürgen Stohner and Herbert L. Strauss and Michio Takami and Anders J Thor},
+ title = {“Quantities, Symbols and Units in Physical Chemistry”, \IUPAC Green Book},
+ edition = {3rd Edition. 2nd Printing},
+ year = {2008},
+ publisher = { \IUPAC \&\ RSC Publishing, Cambridge}
+}
+@book{iupac:redbook,
+ author = {Neil G. Connelly and Ture Damhus and Richard M. Hartshorn and Alan T. Hutton},
+ title = {“Nomenclature of Inorganic Chemistry”, \IUPAC Red Book},
+ year = {2005},
+ publisher = { \IUPAC \&\ RSC Publishing, Cambridge},
+ isbn = {0-85404-438-8}
+}
+@misc{eu:ghsystem_regulation,
+ author = {{The European Parliament and The Council of the European Union}},
+ title = {Regulation (EC) No 1272/2008 of the European Parliament and of the Council},
+ subtitle = {on classification, labelling and packaging of substances and mixtures, amending and repealing Directives 67/548/EEC and 1999/45/EC, and amending Regulation (EC) No 1907/2006},
+ journal = {Official Journal of the European Union},
+ date = {2008-12-16}
+}
+@online{unece:ghsystem_implementation,
+ author = {United Nations Economic Commission for Europe},
+ title = {GHS Implementation},
+ url = {http://www.unece.org/trans/danger/publi/ghs/implementation_e.html},
+ urldate = {2012-03-20},
+ date = {2012-03-20}
+}
+\end{filecontents}
+
+\DeclareInstance{xfrac}{chemformula-text-frac}{text}
+ {
+ scale-factor = 1 ,
+ denominator-bot-sep = -.2ex ,
+ denominator-format = \scriptsize #1 ,
+ numerator-top-sep = -.2ex ,
+ numerator-format = \scriptsize #1
+ }
+
+\newcommand*\chemformula{{\scshape\textcolor{cnpkgblue}{chemformula}}\xspace}
+\newcommand*\ghsystem{{\scshape\textcolor{cnpkgblue}{ghsystem}}\xspace}
+
+\newcommand*\Chemmacros{{\fontspec[Color=cnpkgblue,Scale=1.2]{Linux Biolinum Shadow O}chemmacros}}
+\newcommand*\Chemformula{{\fontspec[Color=cnpkgblue,Scale=1.2]{Linux Biolinum Shadow O}chemformula}}
+\newcommand*\Ghsystem{{\fontspec[Color=cnpkgblue,Scale=1.2]{Linux Biolinum Shadow O}ghsystem}}
+
+\newcommand*\IUPAC{\mbox{IUPAC}\xspace}
+\renewcommand*\AmS{\hologo{AmS}}
+\newcommand*\pdfTeX{\hologo{pdfTeX}}
+\newcommand*\LuaTeX{\hologo{LuaTeX}}
+
+\TitlePicture{%
+ \ch[font-spec={[Color=chemformula]Augie}]{ 2 "\OX{o1,\ox{0,Na}}" + "\OX{r1,\ox{0,Cl}}" {}2 -> 2 "\OX{o2,\ox{+1,Na}}" {}+ + 2 "\OX{r2,\ox{-1,Cl}}" {}- }
+ \redox(o1,o2)[red,-cf]{\small\ch[font-spec={[Color=red]Augie},math-space=.3em]{$-$ 2 e-}}
+ \redox(r1,r2)[blue,-cf][-1]{\small\ch[font-spec={[Color=blue]Augie},math-space=.3em]{$+$ 2 e-}}}
+
+\addcmds{
+ a,abinitio,AddRxnDesc,anti,aq,aqi,b,ba,bottomrule,bridge,cancel,cd,cdot,ce,cee,celsius,
+ centering,chemabove,Chemalpha,Chembeta,Chemgamma,Chemdelta,ChemDelta,chemfig,
+ chemname,Chemomega,chemsetup,cip,cis,ch,cnsetup,CNMR,color,cstsetup,d,D,data,
+ DeclareChemArrow,DeclareChemIUPAC,DeclareChemLatin,DeclareChemNMR,
+ DeclareChemParticle,DeclareChemPhase,DeclareChemReaction,DeclareChemState,
+ DeclareInstance,DeclareSIUnit,definecolor,delm,delp,Delta,Dfi,draw,E,el,
+ electronvolt,ElPot,endo,Enthalpy,enthalpy,Entropy,footnotesize,fmch,fpch,fscrm,
+ fscrp,g,gas,ghs,ghslistall,ghspic,Gibbs,glqq,gram,grqq,H,hapto,HNMR,Helmholtz,
+ hertz,hspace,includegraphics,insitu,intertext,invacuo,iupac,IUPAC,J,joule,Ka,
+ Kb,kilo,Kw,L,latin,lewis,Lewis,Lfi,listofreactions,lqd,ltn,mch,mega,meta,metre,
+ mhName,midrule,milli,mmHg,mole,N,nano,nicefrac,newman,NMR,Nu,Nuc,num,numrange,O,ominus,
+ orbital,ortho,oplus,ox,OX,p,P,para,pch,per,percent,pgfarrowsdeclarealias,
+ pgfarrowsrenewalias,pH,phase,photon,pKa,pKb,pOH,pos,positron,Pot,prt,R,Rad,
+ redox,RenewChemArrow,RenewChemIUPAC,RenewChemLatin,RenewChemNMR,
+ RenewChemParticle,RenewChemPhase,RenewChemState,renewtagform,rightarrow,S,Sf,
+ sample,scriptscriptstyle,scrm,scrp,setatomsep,setbondoffset,sfrac,
+ shorthandoff,ShowChemArrow,si,SI,sisetup,sld,Sod,State,subsection,textcolor,
+ textendash,textsuperscript,tiny,toprule,trans,upbeta,upeta,upgamma,val,volt,
+ vphantom,vspave,w,xspace,Z}
+
+\makeindex
+\begin{document}
+\chemsetup[chemformula]{font-spec={[Color=chemformula]Latin Modern Sans}}
+\renewcommand*\glqq{„}
+\renewcommand*\grqq{“}
+
+\part{Prima di cominciare}\secidx{PRIMA DI COMINCIARE}
+\section{Licenza, requisiti e LEGGIMI}
+Il bundle \chemmacros è pubblicato sotto la \LaTeX\ Project Public License (LPPL) versione 1.3 o successive (\url{http://www.latex-project.org/lppl.txt}) ed ha lo stato \enquote{maintained}.
+
+Il bundle \chemmacros richiede versioni attuali dei bundle \paket{l3kernel} e \paket{l3packages}. Inoltre sono richiesti i pacchetti \paket{siunitx}, \paket{mathtools}, \paket{bm}, \paket{nicefrac} ed \paket{environ} come anche \paket*{tikz}\footnote{CTAN: \href{http://www.ctan.org/pkg/pgf/}{pgf}} e le sue librerie \code{calc} e \code{arrows}.
+
+L'opzione globale del pacchetto (d'ora in poi indicata come \enquote{opzione globale}) \key{bpchem} (paragrafo \ref{sec:optionen}) richiede \paket{bpchem}, l'opzione globale \key{xspace} richiede \paket{xspace} e l'opzione globale \key{method}{mhchem} richiede \paket{mhchem}.
+
+Dalla v3.0 il pacchetto \chemmacros è stato riunito con i nuovi pacchetti \chemformula e \ghsystem. \chemformula è un'alternativa a \paket{mhchem}. Questo ha portato ad alcuni cambiamenti interni a \chemmacros. Contemporaneamente è stato completamente rielaborato questo manuale.
+
+Forse l'utente ricorderà che le opzioni di \chemmacros appartengono tutte a moduli diversi (per ulteriori informazioni a riguardo vedi il paragrafo \ref{sec:setup}). Queste vengono poste nel margine sinistro quando l'opzione viene citata per la prima volta. Il paragrafo \ref{sec:overview} elenca tutte le opzioni di \chemmacros e i rispettivi moduli. In questo documento le opzioni sono contrassegnate dal colore \textcolor{key}{\code{verde}} e i moduli dal colore \textcolor{module}{\code{rosso}}.
+
+Il pacchetto \ghsystem richiede i pacchetti \chemmacros, \paket{tabu}, \paket{longtable}, \paket{ifpdf} e \paket{graphicx}.
+
+\achtung{Il pacchetto riconosce alcuni comandi e opzioni obsolete, che non vengono più descritti in questo manuale; sono ancora definiti per garantire la compatibilità con documenti meno recenti. Questi comandi restituiscono un avviso; in futuro potrebbero non essere più definiti.}
+
+\section{Motivazioni e ragioni}
+\chemmacros nacque qualche anno fa come una lista di macro che usavo frequentemente. Non mi ricordo più il momento e le ragioni che mi spinsero a pubblicarle come pacchetto. Ora lo avete davanti a voi \textendash\ spero che riusciate a trarne qualche beneficio.
+
+Nel corso del tempo le macro ed il loro funzionamento sono leggermente variati, e se ne sono aggiunte di nuove. Al passare del tempo molte cose si sono unificate, introducendo sempre più possibilità di apportare personalizzazioni.
+
+Ogni chimico che usi \LaTeX\ per la compilazione dei propri documenti conoscerà il meraviglioso pacchetto \paket{mhchem} di Martin Hensel. Fin dall'inizio vi sono state delle difficoltà a fare cooperare \paket{mhchem} e \chemmacros. Alcune particolarità di \paket{mhchem} non mi hanno mai convinto completamente, ma non sembravano essere sufficienti per un nuovo pacchetto, nemmeno per inviare un \enquote{feature request} all'autore di \paket{mhchem}. La sfida e il divertimento nel creare un pacchetto nuovo, nonché il desiderio di raggiungere una flessibilità massima hanno infine portato a \chemformula.
+
+\chemformula funziona in modo analogo a \paket{mhchem}, ma è più severo per quanto riguarda l'input dei composti, dei fattori stechiometrici e delle frecce di reazione. Contemporaneamente \chemformula offre qualche possibilità di adattare l'output che \paket{mhchem} non ha. Dato che \chemformula nasce come alternativa a \paket{mhchem}, \chemmacros offre un'opzione per selezionare uno tra \paket{mhchem} e \chemformula.
+
+Il lettore di formazione chimica probabilmente sarà a conoscenza che le \textsc{Nazioni Unite} hanno introdotto il \enquote{\textbf{G}lobally \textbf{H}armonized \textbf{S}ystem of Classification and Labelling of Chemicals} (GHS) come sostituto di validità globale per i numerosi sistemi dei diversi paesi, simili ma non unitari. Nonostante non sia ancora stato adottato da tutti i paesi \cite{unece:ghsystem_implementation}, questo avverrà ben presto. Il pacchetto \ghsystem offre la possibilità di introdurre e richiamare in modo semplice tutti gli \enquote{hazard and precautionary statements}. Le frasi sono tratte dal regolamento (?) CE 1272/2008 \cite{eu:ghsystem_regulation}.
+
+Con questo bundle spero di essere riuscito a realizzare i seguenti quattro punti:
+\begin{itemize}
+ \item un utilizzo intuitivo, soprattutto per quanto riguarda la sintassi dei comandi
+ \item i comandi non vogliono semplificare solo la stesura ma anche la lettura del codice, migliorandone la semantica e rendendola più logica (\lstinline=\ortho-diclorobenzene= è più leggibile e più comprensibile di \lstinline=\textsl{o}-diclorobenzene=)
+ \item introdurre più flessibilità possibile e più possibilità di adattamento, in modo che ogni utente possa adattare i comandi alle proprie necessità.
+ \item impostazioni predefinite conformi alle norme e le indicazioni \IUPAC
+\end{itemize}
+L'ultimo punto in particolare ha richiesto qualche incitamento da parte degli utenti\footnote{Ringrazio particolarmente il Dr.~Paul~King!} per applicare le impostazioni giuste in numerosi punti. Se l'utente dovesse notare qualcosa che non corrisponde ai consigli \IUPAC\footnote{Questo non vale per il comando \cmd{ox}. La versione \IUPAC è \cmd[oxa]{ox*}.}, sarei molto grato di una notifica via e-mail!
+
+In un pacchetto di questa mole comprendente parti meno e più recenti (che debbono essere considerate ancora in fase beta) non è possibile evitare la presenza di errori o bug. Ho grande interesse a correggere e migliorare questo pacchetto, e quindi prego gli utenti che notino un funzionamento imprevisto o indesiderato (anche se apparentemente insignificante) di mandarmi un'e-mail, e vedrò di fare quel che posso. Sono particolarmente interessato a feedback riguardante \chemformula (vedi parte \ref{part:chemformula}) e \ghsystem (vedi parte \ref{part:ghsystem}), ma sono felice di ricevere feedback anche su qualunque altra parte del bundle.
+
+\section{Installazione e caricamento del bundle}\secidx{Caricamento del bundle}\secidx{Installazione}
+Il bundle contiene tre fogli di stile\footnote{Con l'estensione \code{sty}.}, una cartella di nome \code{language/} che contiene i file di definizione di lingua per il GHS (estensione \code{def}), e una cartella di nome \code{pictures/} che contiene immagini di tipo \code{eps}, \code{jpg} e \code{png} (i pittogrammi GHS). Nel caso di un'installazione manuale \emph{è necessario copiare le cartelle \code{language/} e \code{pictures/} nella \emph{stessa} cartella dei fogli di stile}.
+
+Il caricamento di \chemmacros via
+\begin{beispiel}[code only]
+ \usepackage{chemmacros} % `chemmacros', `chemformula' and `ghsystem' are loaded
+\end{beispiel}
+carica anche \chemformula e \ghsystem. È tuttavia possibile impedire a \chemmacros di caricare \ghsystem:
+\begin{beispiel}[code only]
+ \usepackage[ghsystem=false]{chemmacros} % `chemmacros' and `chemformula' are loaded
+\end{beispiel}
+Il caricamento di \chemformula non può essere evitato a causa dell'interazione di \chemmacros e \chemformula.
+
+Il caricamento esplicito di \chemformula o \ghsystem è possibile e carica contemporaneamente anche \chemmacros, se non ancora caricato; implicitamente quindi si caricano a vicenda.
+\begin{beispiel}[code only]
+ \usepackage{chemformula} % `chemmacros', `chemformula' and `ghsystem' are loaded
+ or
+ \usepackage[ghsystem=false]{chemformula} % `chemmacros' and `chemformula' are loaded
+\end{beispiel}
+
+Si consiglia tuttavia di utilizzare solamente \lstinline=\usepackage{chemmacros}= e di applicare le opzioni desiderate con \lstinline=\chemsetup= (confronta il paragrafo \ref{sec:setup}).
+\secidx*{Installazione}\secidx*{Caricamento del pacchetto}
+
+\section{Opzioni globali}\label{sec:optionen}\secidx{Opzioni globali}
+\chemmacros ha diverse opzioni; queste seguono tutte un principio del tipo chiave/valore:
+\begin{beispiel}[code only]
+ \usepackage[option1 = <value1>, option2 = <value2>]{chemmacros}
+\end{beispiel}
+La maggior parte può essere utilizzata anche senza specificare un valore (\lstinline+\usepackage[option]{chemmacros}+); in questo caso richiamano il valore \default{sot\-to\-li\-ne\-a\-to}.
+
+Sia \chemformula che \ghsystem non hanno opzioni proprie; se caricati esplicitamente, accettano le opzioni di \chemmacros, che vengono passate a \chemmacros.
+\begin{beschreibung}
+ % bpchem
+ \option[option]{bpchem}{\default{true}/false} Questa opzione carica \paket{bpchem} e adatta il layout di \cmd{NMR} ai comandi propri di \paket{bpchem} \lstinline+\HNMR+ e \lstinline+\CNMR+. Default = \code{false}
+ % circled
+ \option[option]{circled}{\default{formal}/all/none} \chemmacros distingue due tipi di cariche:\footnote{Ringrazio Christoph Schäfer per avermi fatto notare che la v1.1 trattava le cariche in modo poco coerente!}: le cariche reali ($+/-$) e quelle formali (\fplus/\fminus). L'opzione \code{formal} fa distinzione tra i due tipi, \code{none} le rappresenta tutte senza cerchio, \code{all} tutte cerchiate. Default = \code{formal}
+ % circletype
+ \option[option]{circletype}{\default{chem}/math} Questa opzione varia tra due rappresentazioni per le cariche formali: \cmd{fplus} \fplus\ e \lstinline+$\oplus$+ $\oplus$. Default = \code{chem}
+ % cmversion
+ \option[option]{cmversion}{1/2/bundle} Questa opzione ripristina le definizioni di alcuni comandi, in modo da compilare correttamente documenti composti utilizzando v1.*. Default = \code{bundle}. In realtà \code{2} e \code{bundle} sono equivalenti. Questa opzione può essere impostata solamente nel preambolo.
+ % ghsystem
+ \option[option]{ghsystem}{\default{true}/false} Disattiva il pacchetto \ghsystem. L'impostazione \key{ghs}{false} sopprime il caricamento di \ghsystem. Default = \code{true}
+ % greek
+ \option[option]{greek}{math/textgreek/\default{upgreek}} Questa opzione determina come vengono rappresentate le lettere \cmd{Chemalpha} e le sue simili, vedi a pagina \pageref{desc:upgreek} per ulteriori informazioni. Questa opzione può essere impostata solo nel preambolo. Default = \code{upgreek}
+ % iupac
+ \option[option]{iupac}{auto/restricted/strict} Determina le impostazioni dei comandi di nomenclatura, vedi a pagina \pageref{desc:iupac}. Default = \code{auto}
+ % language
+ \option[option]{language}{american/british/english/french/german/italian/ngerman} Carica impostazioni specifiche per una lingua. \code{english}, \code{american} e \code{british} sono equivalenti, come \code{german} e \code{ngerman}. Questa opzione può essere impostata solo nel preambolo. Default = \code{english}
+ % method
+ \option[option]{method}{\default{chemformula}/mhchem} È possibile scegliere tra \paket{mhchem} e \chemformula per gli ambienti di reazione di \chemmacros (vedi il paragrafo \ref{sec:reactions}) e per le particelle (vedi il paragrafo \ref{sec:teilchen}). Default = \code{chemformula}. Questa opzione può essere impostata solo nel preambolo.
+ % Nu
+ \option[option]{Nu}{\default{chemmacros}/mathspec} Anche il pacchetto \paket{mathspec} definisce una macro \cmd{Nu}. Questa opzione decide quale definizione verrà applicata, vedi a pagina \pageref{Nu}. Default = \code{chemmacros}. Questa opzione può essere impostata solo nel preambolo.
+ % strict
+ \option[option]{strict}{\default{true}/false} L'impostazione \key{strict}{true} trasforma tutti gli avvisi in messaggi di errore. Default = \code{false}
+ % synchronize
+ \option[option]{synchronize}{\default{true}/false} Impostando \code{true}, \chemmacros adotta le impostazioni di carattere di \chemformula, se \chemformula è stato scelto come metodo. Default = \code{false}. Per dimostrare il funzionamento di questa opzione, il documento è stato compilato con \key{synchronize}{true} e l'impostazione di \chemformula \lstinline+\chemsetup[chemformula]{font-spec={[Color=darkgray]Latin Modern Sans}}+.
+ % xspace
+ \option[option]{xspace}{\default{true}/false} Con questa opzione la maggior parte delle macro comprende un \lstinline+\xspace+. Default = \code{true}
+\end{beschreibung}
+\secidx*{Opzioni globali}
+
+\section{Setup}\label{sec:setup}\secidx{Setup}
+Numerosi comandi di \chemmacros, \chemformula e \ghsystem hanno come opzioni delle coppie del tipo chiave/valore attraverso le quali possono essere adattate. Tipicamente possono essere utilizzate come argomento (opzionale) del comando, e in genere anche con il comando \cmd{chemsetup}.
+\begin{beschreibung}
+ \Befehl{chemsetup}[<module>]{<key> = <value>} oppure
+ \Befehl{chemsetup}{<module>/<key> = <value>}
+\end{beschreibung}
+Le opzioni appartengono tutte ad un modulo, che indica quale comando vanno ad influenzare. Quando viene presentata un'opzione, il suo modulo di appartenenza viene segnato nel margine sinistro. Con il comando \cmd{chemsetup} è possibile utilizzare le opzioni in due modalità diverse, come mostrato sopra.
+
+Le opzioni globali possono essere considerate anche come opzioni appartenenti al modulo \textcolor{module}{\ttfamily option}. Possono essere quindi richiamate anche da \cmd{chemsetup}.
+\begin{beispiel}
+ \chemsetup[option]{circled=none}\mch\ \pch\ \fmch\ \fpch\ \el\ \prt \\
+ \chemsetup[option]{circled=formal}\mch\ \pch\ \fmch\ \fpch\ \el\ \prt \\
+ \chemsetup[option]{circletype=math}\mch\ \pch\ \fmch\ \fpch\ \el\ \prt \\
+ \chemsetup{option/circletype=chem,option/circled=all}\mch\ \pch\ \fmch\ \fpch\ \el\ \prt \\
+ \chemsetup{option/circletype=math}\mch\ \pch\ \fmch\ \fpch\ \el\ \prt
+\end{beispiel}
+Le opzioni che non appartengono a \emph{nessun} modulo \emph{non possono essere utilizzate} con \cmd{chemsetup}!
+
+Tutte le opzioni di \chemformula appartengono al modulo \textcolor{module}{\code{chemformula}}, e tutte le opzioni di \ghsystem appartengono al modulo \textcolor{module}{\code{ghs}}.
+\secidx*{Setup}
+
+\section{Impostazioni di lingua}\label{sec:languages}\secidx{Impostazioni di lingua}
+\subsection{Lingue supportate}
+Selezionando l'opzione
+\begin{beispiel}[code only]
+ \chemsetup[option]{language=<language>}
+\end{beispiel}
+può essere selezionata una delle lingue seguenti: \code{american/british/english/french/german/italian/ngerman}. Le lingue \code{american/british/english} sono alias, come anche le lingue \code{german/ngerman}.
+
+Vengono tradotti
+\begin{itemize}
+ \item Il titolo della lista delle reazioni.
+ \item Le voci della lista delle reazioni.
+ \item Le frasi H e P.
+\end{itemize}
+
+\achtung{Attenzione: le frasi GHS non sono disponibili in tutte le lingue; vedi anche nel paragrafo \ref{sec:ghsystem_language}.}
+
+\subsection{Particolarità}
+\subsubsection{Tedesco}
+Selezionando come lingua \code{german/ngerman} vengono tradotti i comandi di fase \cmd{sld}, \cmd{lqd} nonché \cmd{pKa}.
+
+\subsubsection{Italiano}
+\DeclareChemIUPAC{\ter}{\textit{ter}}\DeclareChemIUPAC{\sin}{\textit{sin}}%
+Selezionando come lingua \code{italian} vengono definiti ulteriori comandi IUPAC:
+\begin{beschreibung}
+ \befehl{ter} \iupac{\ter}
+ \befehl{sin} \iupac{\sin}
+\end{beschreibung}
+\secidx*{Impostazioni di lingua}
+
+\section{Novità}\secidx{Novità}
+\subsection{Versione 3.3}
+\begin{itemize}
+ \item Dalla versione 3.3 è disponibile l'ambiente \env{experimental}{}, vedi il paragrafo \ref{sec:spektroskopie}, che può essere impiegato con alcuni nuovi comandi e opzioni per riportare dati sperimentali in modo consistente.
+ \item L'ambiente \env{reaction}{} e i suoi simili sanno utilizzare \lstinline+\label+, \lstinline+\ref+ e \lstinline+\intertext+, vedi il paragrafo \ref{sec:reactions}.
+ \item Le opzioni globali \key{german} e \key{ngerman} vengono sostituite dall'opzione \key{language}, vedi la pagina \pageref{key:option_language} e il paragrafo \ref{sec:languages} da pagina \pageref{sec:languages}.
+ \item L'opzione \key{upgreek} è stata rinominata a \key{greek}.
+ \item Ai comandi del tipo \code{\textbackslash\textcolor{code}{Chem<greekletter>}} sono state aggiunte alcune lettere, vedi il paragrafo \ref{sec:teilchen}.
+\end{itemize}
+
+\subsection{Version 3.3a}
+\begin{itemize}
+ \item I comandi IUPAC \cmd{hapto} e \cmd{bridge} sono nuovi.
+ \item Le frasi H e P sono ora disponibili anche in italiano.
+\end{itemize}
+\secidx*{Novità}\secidx*{PRIMA DI COMINCIARE}
+
+\part{\texorpdfstring{\Chemmacros}{chemmacros}}\secidx{CHEMMACROS}
+\section{Particelle, ioni e simboli}\label{sec:teilchen}\secidx{Particelle, ioni e simboli}
+\subsection{Predefiniti}\secidx[predefiniti]{Particelle, ioni e simboli}
+\chemmacros definisce alcune semplici macro per raffigurare particelle e simboli comuni. Si noti che questi possono essere rappresentati in modo diverso a seconda delle opzioni globali utilizzate. I comandi possono essere utilizzati anche in modalità matematica.
+\begin{beschreibung}
+ \befehl{Hpl} \Hpl (protone)
+ \befehl{Hyd} \Hyd (idrossido)
+ \befehl{HtO} \HtO (ione ossonio) (\textbf{H} \textbf{t}hree \textbf{O})
+ \befehl{water} \water
+ \befehl{el} \el (elettrone)
+ \befehl{prt} \prt (proton)
+ \befehl{ntr} \ntr (neutrone)
+ \befehl{Nu} \Nu (nucleofilo). Anche il pacchetto \paket{mathspec} definisce una macro di nome \cmd{Nu}. Selezionando l'opzione globale \key[option]{Nu}{mathspec}, \chemmacros definisce una macro sostitutiva \cmd{Nuc}\label{Nu}.
+ \befehl{El} \El (elettrofilo)
+ \befehl{ba} \ba (base)
+ \befehl{fplus} \fplus
+ \befehl{fminus} \fminus
+ \befehl{transitionstatesymbol} \transitionstatesymbol
+ \befehl{standardstate} \standardstate. Questo simbolo viene reso da \chemmacros solamente se non è caricato il pacchetto \paket{chemstyle}. L'idea proviene proprio da questo pacchetto\footnote{Molte grazie al suo autore \href{http://www.texdev.net/}{Joseph Wright}.}.
+ \befehl{Chemalpha} \Chemalpha
+ \befehl{Chembeta} \Chembeta
+ \befehl{Chemgamma} \Chemgamma
+ \befehl{Chemdelta} \Chemdelta
+ \befehl{Chemepsilon} \Chemepsilon
+ \befehl{Chemeta} \Chemeta
+ \befehl{Chemkappa} \Chemkappa
+ \befehl{Chemmu} \Chemmu
+ \befehl{Chemnu} \Chemnu
+ \befehl{Chemrho} \Chemrho
+ \befehl{Chempi} \Chempi
+ \befehl{Chemsigma} \Chemsigma
+ \befehl{Chemomega} \Chemomega
+ \befehl{ChemDelta} \ChemDelta
+\end{beschreibung}
+
+\achtung{Il comando \cmd{Rad} non è più disponibile!}
+
+Entrambe le particelle \cmd{Nu} e \cmd{ba} possono essere adattate. Per farlo si impiega l'opzione
+\begin{beschreibung}
+ \Option[particle]{elpair}{false/\default{dots}/dash}
+\end{beschreibung}
+Questa ha effetto solo quando è caricato il pacchetto \paket{chemfig}, da cui prende il comando \lstinline+\Lewis+.
+\begin{beispiel}
+ % needs package `chemfig'
+ \ba[elpair] \Nu[elpair=dash]
+
+ \chemsetup[particle]{elpair}
+ \ba \Nu
+\end{beispiel}
+
+\label{desc:upgreek}Le lettere greche non sono comandi nuovi; la loro definizione dipende dai pacchetti caricati. La loro versione predefinita corrisponde alle lettere greche corsive proprie del modo matematico. Se è caricato il pacchetto \paket{textgreek}, vengono utilizzate le sue lettere; se è caricato il pacchetto \paket{upgreek}, vengono utilizzate le lettere di quest'ultimo. Questo manuale impiega \paket{upgreek}. Quando sono caricati entrambi \paket{textgreek} e \paket{upgreek}, viene impiegato automaticamente \paket{upgreek}.
+
+Nel caso in cui l'utente non voglia adattarsi alla selezione automatica di \chemmacros, per scegliere autonomamente va impiegata l'opzione globale \key[option]{greek}. \ref{tab:upgreek_mode} mostra le diverse varianti di alcune lettere.
+
+\begin{table}[h]
+ \centering
+ \begin{tabular}{lccc}\toprule
+ & math & upgreek & textgreek \\\midrule
+ \cmd{Chemalpha} & $\alpha$ & $\upalpha$ & \textalpha \\
+ \cmd{Chembeta} & $\beta$ & $\upbeta$ & \textbeta \\
+ \cmd{ChemDelta} & $\Delta$ & $\Updelta$ & \textDelta \\ \bottomrule
+ \end{tabular}
+ \caption{Le lettere greche}\label{tab:upgreek_mode}
+\end{table}
+
+La ragione per cui \chemmacros definisce queste macro è per conformarsi alle regole \IUPAC. \IUPAC consiglia di utilizzare lettere greche tonde nella nomenclatura.
+
+\begin{zitat}[\IUPAC Green Book \cite[][p.\,9]{iupac:greenbook}]
+ Greek letters are used in systematic organic, inorganic, macromolecular and biochemical nomenclature. These should be roman (upright), since they are not symbols for physical quantities.
+\end{zitat}
+
+\chemmacros impiega questi comandi per definire comandi di nomenclatura, vedi anche a pagina \pageref{par:greek_letters}.
+
+\subsection{Definire particelle proprie}\secidx[proprie]{Particelle, ioni e simboli}
+Talvolta può essere utile avere a disposizione particelle ulteriori come macro, ad esempio \lstinline+\positron+ oppure \lstinline+\photon+. È possibile svolgere agevolmente queste definizioni con questo comando:
+\begin{beschreibung}
+ \Befehl{DeclareChemParticle}{<cmd>}\ma{<definition>}
+ \Befehl{RenewChemParticle}{<cmd>}\ma{<definition>}
+\end{beschreibung}
+A seconda del \key{method} scelto come opzione, la \code{<definition>} viene svolta alternativamente con \paket{mhchem} o con \chemformula. La particella si comporta come quelle predefinite, tranne che per un'eccezione: la particella così definita obbedisce all'opzione \key{circled} solamente se è stato selezionato \key{method}{chemformula}. Se si desiderano cariche formali con \key{method}{mhchem}, è necessario richiamare i comandi di \chemmacros in modo esplicito (vedi il paragrafo \ref{sec:ladungen}).
+\begin{beispiel}
+ % uses the `upgreek' package
+ \DeclareChemParticle{\positron}{$\upbeta$+}
+ \DeclareChemParticle{\photon}{$\upgamma$}
+ \RenewChemParticle{\el}{$\upbeta$-}
+ \positron\ \photon\ \el
+\end{beispiel}
+\cmd{DeclareChemParticle} definisce la particella solamente se \code{<cmd>} non esiste ancora. In caso diverso \chemmacros restituisce un avvertimento oppure un errore, dipendentemente dall'opzione \key{strict}. \cmd{RenewChemParticle} definisce una particella \emph{solamente}, se \code{<cmd>} è già esistente, e restituisce un avvertimento o un errore in caso contrario.
+\secidx*{Particelle, ioni e simboli}
+
+\section{Nomenclatura, stereodescrittori e termini in latino}\label{sec:stereo}
+\subsection{Nomi IUPAC}\secidx{Nomi IUPAC}
+Analogamente al pacchetto \paket{bpchem} anche \chemmacros mette a disposizione un comando\footnote{L'idea e la realizzazione provengono dal pacchetto \paket*{bpchem} di Bjørn Pedersen.} per inserire nomi \IUPAC. La sua utilità deriva da un motivo molto semplice: i nomi \IUPAC possono diventare particolarmente lunghi, così lunghi da riempire anche più di due righe, particolarmente all'interno di documenti in due colonne. Ciò significa che devono poter essere divisi più di una volta. Per metterlo in pratica si utilizza il seguente comando:
+\begin{beschreibung}
+ \befehl{iupac}{<IUPAC name>} All'interno di questo comando vengono impiegati {\catcode`\|=11\cmd{|}} e \cmd{-} per segnare punti di divisione oppure un trattino separatore. {\catcode`\^=11\cmd{^}} può essere utilizzato come abbreviazione per \lstinline=\textsuperscript=\footnote{In realtà viene impiegato un meccanismo diverso, anche se il risultato è praticamente lo stesso.}.
+\end{beschreibung}
+\begin{beispiel}
+ \begin{minipage}{.4\linewidth}
+ \iupac{Tetra\|ciclo[2.2.2.1\^{1,4}]\-un\|decano-2\-dodecil\-5\-(epta\|decil\|iso\|dodecil\|tio\|estere)}
+ \end{minipage}
+\end{beispiel}
+Nonostante ciò, il comando \cmd{iupac} è più che altro un comando semantico. Nella maggior parte dei casi si può raggiungere un risultato (quasi) identico utilizzando \cmd{-} anziché {\catcode`\|=11\cmd{|}}, \code{-} anziché \cmd{-} e \lstinline=\textsuperscript= anziché {\catcode`\^=11\cmd{^}}.
+
+Esistono delle sottili differenze: \cmd{-} inserisce un sottile spazio prima del trattino e rimuove un sottile spazio dopo. Il comando {\catcode`\|=11\cmd{|}} non evita solo le legature, bensì inserisce anche un sottile spazio.
+\begin{beispiel}
+ \huge\iupac{2,4\-di\|cloro\|pentano} \\
+ 2,4-dicloropentano
+\end{beispiel}
+
+Gli spazi inseriti possono essere adattati:
+\begin{beschreibung}
+ \option[iupac]{hyphen-pre-space}{<dim>} default = \code{.01em}
+ \option[iupac]{hyphen-post-space}{<dim>} default = \code{-.03em}
+ \option[iupac]{break-space}{<dim>} default = \code{.01em}
+\end{beschreibung}
+
+Il comando \cmd{iupac} serve anche ad un altro scopo. Indipendentemente dall'opzione globale \key[option]{iupac} tutti i comandi presentati in questo paragrafo sono sempre definiti \emph{all'interno} di \cmd{iupac}. Tutta una serie di comandi di nomenclatura ha nomi molto generici come \cmd{meta}, \cmd{D}, \cmd{E}, \cmd{L}, \cmd{R}, \cmd{S}, \cmd{trans} e così via. Ne segue che sono già predefiniti (\cmd{L} \L) oppure sono facilmente modificati da altri pacchetti o altre classi (ad esempio, il pacchetto \paket{cool} definisce sia \cmd{D} che \cmd{E}). Per potere controllare quali comandi sono definiti e come, esiste l'opzione globale \key[option]{iupac}\label{desc:iupac}, con tre modalità di utilizzo:
+\begin{itemize}
+ \item \key{iupac}{auto}: se il comando \emph{non è definito} all'interno di un pacchetto o una classe in uso, è disponibile generalmente, altrimenti solo \emph{all'interno} di \cmd{iupac}.
+ \item \key{iupac}{restricted}: tutti i comandi di nomenclatura sono definiti \emph{solo} internamente a \cmd{iupac}. Sono disponibili esternamente solo se definiti da un'altro pacchetto.
+ \item \key{iupac}{strict}: \chemmacros sovrascrive ogni definizione preesistente e rende disponibili i comandi in tutto il documento. Possono essere ridefiniti (solo dopo a \lstinline=\begin{document}=). Mantengono il significato di nomenclatura all'interno di \cmd{iupac}.
+\end{itemize}
+Nella tabella \ref{tab:iupac_modes} è dimostrato il funzionamento delle diverse modalità.
+
+\begin{table}[h]
+ \centering
+ \begin{tabular}{lccc}\toprule
+ & auto & restricted & strict \\\midrule
+ \lstinline=\L= & \L & \L & \iupac{\L} \\
+ \lstinline=\iupac{\L}= & \iupac{\L} & \iupac{\L} & \iupac{\L} \\
+ \lstinline=\D= & \D & -- & \D \\
+ \lstinline=\iupac{\D}= & \iupac{\D} & \iupac{\D} & \iupac{\D} \\\bottomrule
+ \end{tabular}
+ \caption{Esempio dimostrativo del funzionamento delle diverse modalità di \protect\key{iupac}.}\label{tab:iupac_modes}
+\end{table}
+
+\subsubsection{Comandi predefiniti}\secidx[predefiniti]{Nomi IUPAC}\secidx{Stereodescrittori e nomenclatura}
+\paragraph{Caratteri greci}\label{par:greek_letters}\secidx[caratteri greci]{Nomi IUPAC}
+Le lettere greche all'interno dei nomi di composti sono in carattere tondo. Per realizzarlo sono impiegati i pacchetti \paket{upgreek} e \paket{textgreek}. Quando viene caricato uno dei due, sono scritti in tondo i seguenti caratteri:
+\begin{beschreibung}
+ \befehl{a} \iupac{\a}
+ \befehl{b} \iupac{\b}
+ \befehl{g} \iupac{\g}
+ \befehl{d} \iupac{\d}
+ \befehl{k} \iupac{\k}
+ \befehl{m} \iupac{\m}
+ \befehl{n} \iupac{\n}
+ \befehl{w} \iupac{\w}
+\end{beschreibung}
+\begin{beispiel}
+ \iupac{5\a\-androstan\-3\b\-olo} \\
+ \iupac{\a\-(tri\|cloro\|metil)\-\w\-cloro\|poli(1,4\-fenilene\|metilene)}
+\end{beispiel}
+
+\paragraph{Eteroatomi e idrogeno aggiunto}\secidx[Eteroatomi]{Nomi IUPAC}
+I legami ad eteroatomi e gli idrogeni aggiunti sono rappresentati da caratteri corsivi \cite{iupac:greenbook}. \chemmacros definisce alcune abbreviazioni:
+\begin{beschreibung}
+ \befehl{H} \iupac{\H}
+ \befehl{O} \iupac{\O}
+ \befehl{N} \iupac{\N}
+ \befehl{Sf} \iupac{\Sf}
+ \befehl{P} \iupac{\P}
+\end{beschreibung}
+\begin{beispiel}
+ \iupac{\N\-methyl\|benz\|amide} \\
+ \iupac{3\H\-pyrrole} \\
+ \iupac{\O\-ethyl hexanethioate}
+\end{beispiel}
+
+\paragraph{Cahn-Ingold-Prelog}\index{Cahn-Ingold-Prelog}\secidx[Cahn-Ingold-Prelog]{Nomi IUPAC}
+\begin{beschreibung}
+ \befehl{cip}{<conf>} \zB: \cmd{cip}{R,S} \cip{R,S}
+ \befehl{R} \iupac{\R}
+ \befehl{S} \iupac{\S}
+\end{beschreibung}
+Dato che il comando \cmd{S} ha già un altro significato (\S) come impostazione di default è disponibile solo all'interno di \cmd{iupac}.
+
+\paragraph{Fischer}\index{Fischer}\secidx[Fischer]{Nomi IUPAC}
+\begin{beschreibung}
+ \befehl{D} \iupac{\D}
+ \befehl{L} \iupac{\L}
+\end{beschreibung}
+Dato che il comando \cmd{L} ha già un altro significato (\L) come impostazione di default è disponibile solo all'interno di \cmd{iupac}.
+
+\paragraph{cis/trans, zusammen/entgegen, sin/anti \& tert}\index{tert}\secidx[tert]{Nomi IUPAC}\index{cis/trans}\secidx[cis/trans]{Nomi IUPAC}\index{zusammen/entgegen}\secidx[zusammen/entgegen]{Nomi IUPAC}\secidx[sin/anti]{Nomi IUPAC}
+\begin{beschreibung}
+ \befehl{cis} \cis
+ \befehl{trans} \trans
+ \befehl{Z} \Z
+ \befehl{E} \E
+ \befehl{syn} \syn
+ \befehl{anti} \anti
+ \befehl{tert} \tert
+\end{beschreibung}
+Anche il pacchetto \paket{cool} definisce i comandi \cmd{E} e \cmd{D}. Quando viene caricato, la versione di \chemmacros come impostazione predefinita è disponibile solo all'interno di \cmd{iupac}.
+
+\paragraph{orto/meta/para}\index{orto/meta/para}\secidx[orto/meta/para]{Nomi IUPAC}
+\begin{beschreibung}
+ \befehl{ortho} \ortho
+ \befehl{meta} \meta
+ \befehl{para} \para
+\end{beschreibung}
+
+\paragraph{Configurazione assoluta}\index{Configurazione assoluta} (utilizza \TikZ)
+\begin{beschreibung}
+ \befehl{Rconf}[<letter>] \cmd{Rconf}: \Rconf \quad\cmd{Rconf}[]: \Rconf[]
+ \befehl{Sconf}[<letter>] \cmd{Sconf}: \Sconf \quad\cmd{Sconf}[]: \Sconf[]
+\end{beschreibung}
+
+Esempi:
+\begin{beispiel}
+ \iupac{acido \D\-tartar\|ico} =
+ \iupac{acido \cip{2S,3S}\-tartar\|ico} \\
+ \iupac{\D\-($-$)\-treosio} =
+ \iupac{\cip{2S,3R}\-($-$)\-2,3,4\-Tri\|idrossi\|butanale} \\
+ \iupac{\cis\-2\-butene} =
+ \iupac{\Z\-2\-butene}, \\
+ \iupac{\cip{2E,4Z}\-esa\|diene} \\
+ \iupac{\meta\-xilene} =
+ \iupac{1,3\-di\|metil\|benzene}
+\end{beispiel}
+\secidx*{Stereodescrittori e nomenclatura}
+
+\paragraph{Chimica di coordinazione}
+\chemmacros mette a disposizione due comandi che possono essere utili in chimica di coordinazione:
+\begin{beschreibung}
+ \befehl{bridge}{<num>} \bridge{3}
+ \befehl{hapto}{<num>} \hapto{5}
+\end{beschreibung}
+\begin{beispiel}
+ Ferrocene = \iupac{bis(\hapto{5}cyclo\|penta\|dienyl)iron} \\
+ \iupac{tetra\-\bridge{3}iodido\-tetrakis[tri\|methyl\|platinum(IV)]}
+\end{beispiel}
+
+Sono disponibili due opzioni per l'adattamento:
+\begin{beschreibung}
+ \option[iupac]{bridge-number}{sub/super} appende il numero come apice o pedice. IUPAC consiglia l'uso del pedice \cite{iupac:redbook}. Default = \code{sub}
+ \option[iupac]{coord-use-hyphen}{\default{true}/false} appende un trattino a \cmd{hapto} e \cmd{bridge} quando \code{true}. Default = \code{true}
+\end{beschreibung}
+
+\subsubsection{Comandi di nomenclatura propri}\secidx[propri]{Nomi IUPAC}
+Se l'utente avesse bisogno di nuovi comandi è possibile definirli nel modo seguente:
+\begin{beschreibung}
+ \Befehl{DeclareChemIUPAC}{<cmd>}\ma{<declaration>}
+ \Befehl{RenewChemIUPAC}{<cmd>}\ma{<declaration>}
+\end{beschreibung}
+Un comando definito in questa maniera obbedisce all'opzione \key[option]{iupac}. Eventuali comandi preesistenti vengono sostituiti solamente se è attiva l'opzione globale \key{iupac}{strict}. \cmd{DeclareChemIUPAC} \emph{non sostituisce} una definizione di un comando di nomenclatura preesistente, bensì restituisce un'avvertimento o un errore (in base all'opzione globale \key{strict}).
+\begin{beispiel}
+ \DeclareChemIUPAC\endo{\textit{endo}}
+ \DeclareChemIUPAC\anti{\textit{anti}}
+ \iupac{(2\-\endo,7\-\anti)\-2\-bromo\-7\-fluoro\|bicyclo[2.2.1]heptane}
+\end{beispiel}
+
+\cmd{RenewChemIUPAC} permette di ridefinire i comandi predefiniti.
+\begin{beispiel}
+ \iupac{\meta\-xilene} \\
+ \RenewChemIUPAC\meta{\textit{m}}
+ \iupac{\meta\-xilene}
+\end{beispiel}
+\secidx*{Nomi IUPAC}
+
+\subsection{Termini in latino}\secidx{Termini in latino}
+Il pacchetto \paket{chemstyle} mette a disposizione il comando \cmd{latin}, per riportare termini latini comuni in modo consistente. \chemmacros definisce un comando \cmd{latin} analogo, ma solo se \paket{chemstyle} \emph{non} è caricato, e mette inoltre a disposizione i seguenti comandi:
+\begin{beschreibung}
+ \befehl{insitu} \insitu
+ \befehl{abinitio} \abinitio
+ \befehl{invacuo} \invacuo
+\end{beschreibung}
+
+Nel caso sia caricato il pacchetto \paket{chemstyle}, i comandi sono stati già definiti con il suo comando \lstinline+\latin+. Il loro aspetto dipende quindi dall'opzione \code{abbremph} di \paket{chemstyle}:
+\begin{beispiel}
+ \insitu, \abinitio\\
+ \cstsetup{abbremph=false}
+ \insitu, \abinitio
+\end{beispiel}
+
+Le macro sono state definite con il comando seguente:
+\begin{beschreibung}
+ \Befehl{DeclareChemLatin}{<cmd>}\ma{<phrase>}
+ \Befehl{RenewChemLatin}{<cmd>}\ma{<phrase>}
+\end{beschreibung}
+\begin{beispiel}
+ \DeclareChemLatin\ltn{latin text}
+ \ltn \cstsetup{abbremph=false} \ltn
+\end{beispiel}
+Nel caso in cui \paket{chemstyle} \emph{non} sia stato caricato, è possibile cambiarne l'aspetto tramite l'opzione seguente:
+\begin{beschreibung}
+ \option[latin]{format}{<definition>} Default = \lstinline+\itshape+
+\end{beschreibung}
+\secidx*{Termini in latino}
+
+\section{Unità di misura per l'impiego con \textsf{siunitx}}\label{sec:einheiten}\secidx{Unità di misura}[Unita di misura]
+In chimica sono largamente impiegate alcune unità non-SI. Il pacchetto \paket{siunitx} mette a disposizione il comando \lstinline+\DeclareSIUnit{<command>}{<unit>}+ per definire unità arbitrarie. \chemmacros impiega questo comando per definire le unità elencate in seguito. Come tutte le unità di misura di \paket{siunitx}, anche queste unità aggiuntive sono valide solamente all'interno di \lstinline+\SI{<num>}{<unit>}+ e \lstinline+\si{<unit>}+.
+\begin{beschreibung}
+ \befehl{atmosphere} \si{\atmosphere}
+ \befehl{atm} \si{\atm}
+ \befehl{calory} \si{\calory}
+ \befehl{cal} \si{\cal}
+ \befehl{cmc} \si{\cmc} Le unità \cmd{cmc}, \cmd{molar} e \cmd{Molar} sono definite anche dal pacchetto \paket{chemstyle}. \chemmacros le definisce solo nel caso in cui \paket{chemstyle} non sia stato caricato.
+ \befehl{molar} \si{\molar}
+ \befehl{moLar} \si{\moLar}
+ \befehl{Molar} \si{\Molar}
+ \befehl{MolMass} \si{\MolMass}
+ \befehl{normal} \si{\normal}
+ \befehl{torr} \si{\torr}
+\end{beschreibung}
+
+Nota bene: \lstinline+\mmHg+ \si{\mmHg} è messo a disposizione da \paket{siunitx} e \paket{chemstyle}.
+\secidx*{Unità di misura}[Unita di misura]
+
+\section{Acidi/basi}\label{sec:saeure_base}\secidx{Acidi/basi}
+È possibile una semplice rappresentazione di \pH, \pKa \ldots\ (il comando \cmd{pKa} dipende dall'opzione globale \key{language}).
+\begin{beschreibung}
+ \befehl{pH} \pH
+ \befehl{pOH} \pOH
+ \befehl{Ka} \Ka
+ \befehl{Kb} \Kb
+ \befehl{Kw} \Kw
+ \befehl{pKa}[<num>] \cmd{pKa}: \pKa, \cmd{pKa}[1]: \pKa[1]
+ \befehl{pKb}[<num>] \cmd{pKb}: \pKb, \cmd{pKb}[1]: \pKb[1]
+ \befehl{p}{<anything>} \zB: \cmd{p}{\cmd{Kw}} \p{\Kw}
+\end{beschreibung}
+
+\begin{beispiel}
+ \Ka \Kb \pKa \pKa[1] \pKb \pKb[1]
+\end{beispiel}
+
+\achtung{L'aspetto predefinito dei comandi di tipo \p{} è stato modificato per accogliere l'indicazione \IUPAC.}
+\begin{zitat}[\IUPAC Green Book \cite[][p.\,103]{iupac:greenbook}]
+ The operator \p{} […] shall be printed in Roman type.
+\end{zitat}
+
+Esiste un'opzione che varia lo stile di rappresentazione di \p{}:
+\begin{beschreibung}
+ \option[acid-base]{p-style}{italics/slanted/upright} Default = \code{upright}
+\end{beschreibung}
+\begin{beispiel}
+ \pH, \pKa
+
+ \chemsetup[acid-base]{p-style=slanted} \pH, \pKa
+
+ \chemsetup[acid-base]{p-style=italics} \pH, \pKa
+\end{beispiel}
+\secidx*{Acido/base}
+
+\section{Numeri di ossidazione, cariche reali e formali}\label{sec:ladungen}
+\chemmacros distingue tra simboli di cariche reali ($+$/$-$) e formali (\fplus/\fminus), vedi anche il paragrafo \ref{sec:optionen}. Tutti i comandi che restituiscono cariche formali iniziano con la lettera \code{f}.
+
+\subsection{Cariche ioniche}\label{ssec:ionen}\secidx{Cariche ioniche}
+Impiego facile di cariche (reali):
+\begin{beschreibung}
+ \befehl{pch}[<number>] carica positiva (\textbf{p}lus + \textbf{ch}arge)
+ \befehl{mch}[<number>] carica negativa (\textbf{m}inus + \textbf{ch}arge)
+\end{beschreibung}
+
+\begin{beispiel}
+ \pch, Na\pch, Ca\pch[2]\\
+ \mch, F\mch, S\mch[2]
+\end{beispiel}
+
+Altrettanto vale per le cariche formali:
+\begin{beschreibung}
+ \befehl{fpch}[<number>] carica positiva
+ \befehl{fmch}[<number>] carica negativa
+\end{beschreibung}
+
+\begin{beispiel}
+ \fpch\ \fmch\ \fpch[3] \fmch[3]
+\end{beispiel}
+
+Esiste un'opzione che influenza il comportamento delle cariche:
+\begin{beschreibung}
+ \option[charges]{append}{\default{true}/false} Quando è impostata a \code{true}, la carica viene appesa ad un gruppo vuoto. Default = \code{false}
+\end{beschreibung}
+
+Questo ha le conseguenze seguenti:
+\begin{beispiel}
+ % uses package `mhchem'
+ \chemsetup{charges/append=false,phases/pos=sub}
+ \ce{H\pch\aq} \ce{H\aq\pch}
+
+ \chemsetup[charges]{append=true}
+ \ce{H\pch\aq} \ce{H\aq\pch}
+\end{beispiel}
+
+Nella maggior parte dei casi questo comportamento può essere indesiderato, anche se esistono occasioni dove può tornare utile:
+\begin{beispiel}
+ \chemsetup{charges/append=false,phases/pos=sub}
+ \ce{\ox{1,H}\pch\aq}
+
+ \chemsetup[charges]{append=true}
+ \ce{\ox{1,H}\pch\aq}
+\end{beispiel}
+\secidx*{Cariche ioniche}
+
+\subsection{Numeri di ossidazione}\label{ssec:oxidationszahlen}\secidx{Numeri di ossidazione}
+Inserimento di numeri di ossidazione:
+\begin{beschreibung}
+ \befehl{ox}[<options>]{<number>,<atom>} inserisce \code{<number>} al di sopra di \code{<atom>}; \code{<number>} deve essere un numero (razionale)!
+\end{beschreibung}
+
+\begin{beispiel}
+ \ox{+1,Na}, \ox{2,Ca}, \ox{-2,S}, \ox{-1,F}
+\end{beispiel}
+
+Esiste una serie di opzioni con le quali è possibile adattare \cmd{ox}.
+\begin{beschreibung}
+ \option[ox]{parse}{\default{true}/false} Quando vale \code{false}, può essere inserito un valore qualunque per \code{<number>}. Default = \code{true}
+ \option[ox]{roman}{\default{true}/false} seleziona l'impiego di numeri romani o arabi. Default = \code{true}
+ \option[ox]{pos}{top/super/side}; \code{top} pone \code{<number>} al di sopra di \code{<atom>}, \code{super} come apice alla destra e \code{side} a destra tra parentesi. Default = \code{top}
+ \option[ox]{explicit-sign}{\default{true}/false} restituisce $+$ per numeri positivi e $\pm$ per $0$ aus. Default = \code{false}
+ \option[ox]{decimal-marker}{comma/point} Sceglie il tipo di segno decimale per i numeri di ossidazione \ox{1.2,X}. Default = \code{point}
+\end{beschreibung}
+
+\begin{beispiel}
+ \ox[roman=false]{2,Ca} \ox{2,Ca} \\
+ \ox[pos=super]{3,Fe}-Oxid \\
+ \ox[pos=side]{3,Fe}-Oxid \\
+ \ox[parse=false]{?,Mn}
+\end{beispiel}
+
+La variante \key[ox]{pos}{super} può essere selezionata anche tramite l'abbreviazione \cmd[oxa]{ox*}:
+\begin{beispiel}
+ \ox{3,Fe} \ox*{3,Fe}
+\end{beispiel}
+
+Impiegando \key[ox]{explicit-sign} viene sempre mostrato il segno del numero di ossidazione:
+\begin{beispiel}
+ \chemsetup[ox]{explicit-sign = true}
+ \ox{+1,Na}, \ox{2,Ca}, \ox{-2,S}, \ch{"\ox{0,F}" {}2}
+\end{beispiel}
+
+\begin{beispiel}
+ Si confronti ad esempio \ox{-1,\ch{O2^2-}} con \ch{"\ox{-1,O}" {}2^2-}
+\end{beispiel}
+
+Talvolta è necessario impiegare numeri d'ossidazione formali come \num{.5} oppure $\frac{1}{3}$:
+\begin{beispiel}
+ \ox{.5,\ch{Br2}} \ch{"\ox{1/3,I}" {}3+}
+\end{beispiel}
+
+La frazione impiega il comando \lstinline+\sfrac+ del pacchetto \paket{xfrac}. A questo proposito è definita l'istanza \lstinline+chemmacros-ox-frac+.
+\begin{beispiel}[code only]
+\DeclareInstance{xfrac}{chemmacros-ox-frac}{text}
+ {
+ scale-factor = 1.2 ,
+ denominator-bot-sep = -.5ex ,
+ numerator-top-sep = -.3ex ,
+ slash-left-kern = -.2em ,
+ slash-right-kern = -.2em ,
+ slash-symbol-font = lmr
+ }
+\end{beispiel}
+Naturalmente può essere ridefinita a seconda dei propri gusti.
+\secidx*{Numeri di ossidazione}
+
+\subsection{Cariche parziali e simili}\label{ssec:partialladungen}\secidx{Cariche parziali}
+Sono poco usati, ma possono risultare utili:
+\begin{beschreibung}
+ \befehl{delp} \delp\ (\textbf{del}ta + \textbf{p}lus)
+ \befehl{delm} \delm\ (\textbf{del}ta + \textbf{m}inus)
+ \befehl{fdelp} \fdelp
+ \befehl{fdelm} \fdelm
+\end{beschreibung}
+
+Un esempio con il comando \cmd{ox} oppure con il pacchetto \paket{chemfig}:
+\begin{beispiel}
+ \chemsetup{
+ option/circled = all,
+ ox/parse = false
+ }
+ \ce{\ox{\delp,H}-\ox{\delm,Cl}} \hspace*{1cm}
+ \chemfig{\chemabove[3pt]{\lewis{246,Br}}{\delm}-\chemabove[3pt]{H}{\delp}}
+\end{beispiel}
+
+Anche queste macro possono essere utilizzate con \paket{chemfig}.
+\begin{beschreibung}
+ \befehl{scrp} \scrp\ (\textbf{scr}iptstyle + \textbf{p}lus)
+ \befehl{scrm} \scrm\ (\textbf{scr}iptstyle + \textbf{m}inus)
+ \befehl{fscrp} \fscrp
+ \befehl{fscrm} \fscrm
+ \befehl{fsscrp} \fsscrp\ (impiega \lstinline+\scriptscriptstyle+)
+ \befehl{fsscrm} \fsscrm
+\end{beschreibung}
+
+\begin{beispiel}
+ \setatomsep{1.8em}\chemfig{CH_3-\chemabove{C}{\scrp}(-[6]C|H_3)-\vphantom{H_3}CH_3}
+
+ \chemfig{\fmch{}|O-\chemabove{N}{\fscrp}(-[1]O|\fmch)-[7]O|\fmch}
+\end{beispiel}
+\secidx*{Cariche parziali}
+
+\section{Meccanismi di reazione}\label{sec:mechanismen}\secidx{Meccanismi di reazione}
+Con il comando
+\begin{beschreibung}
+ \Befehl{mech}[<type>]
+\end{beschreibung}
+è possibile specificare i meccanismi di reazione più diffusi. \code{<type>} può assumere uno dei valori seguenti:
+\begin{beschreibung}
+ \befehl{mech} (vuoto, nessun argomento opzionale) sostituzione nucleofila \mech
+ \befehl{mech}[1] sostituzione nucleofila unimolecolare \mech[1]
+ \befehl{mech}[2] sostituzione nucleofila bimolecolare \mech[2]
+ \befehl{mech}[se] sostituzione elettrofila \mech[se]
+ \befehl{mech}[1e] sostituzione elettrofila unimolecolare \mech[1e]
+ \befehl{mech}[2e] sostituzione elettrofila bimolecolare \mech[2e]
+ \befehl{mech}[ar] sostituzione elettrofila aromatica \mech[ar]
+ \befehl{mech}[e] eliminazione \mech[e]
+ \befehl{mech}[e1] eliminazione unimolecolare \mech[e1]
+ \befehl{mech}[e2] eliminazione bimolecolare \mech[e2]
+ \befehl{mech}[cb] eliminazione unimolecolare \enquote{conjugated base}, cioè via carbanione \mech[cb]
+\end{beschreibung}
+\secidx*{Meccanismi di reazione}
+
+\section{Reazioni redox}\label{sec:redoxreaktionen}\secidx{Reazioni redox}% TODO: watch pagebreaks!
+\chemmacros mette a disposizione due comandi, con i quali può essere mostrato il trasferimento di elettroni nelle reazioni redox\footnote{Ringrazio \href{http://www.mathannotated.com/}{Peter Cao}, che ha proposto questa funzione.}. Entrambi i comandi utilizzano \TikZ.
+\begin{beschreibung}
+ \Befehl{OX}{<name>,<atom>}
+ \Befehl{redox}(<name1>,<name2>)[<tikz>]\oa{<num>}\ma{<text>} \cnpkgdocarrow\ È necessario solamente il primo argomento\\\da{<name1>,<name2>}; gli altri due sono opzionali.
+\end{beschreibung}
+
+\cmd{OX} pone \code{<atom>} in un nodo (un \enquote{Node}) dal nome \code{<name>}. Una volta impiegati due \cmd{OX}, questi possono essere collegati tramite \cmd{redox}. I nomi dei nodi da collegare vanno posti tra parentesi tonde. Dato che \cmd{redox} crea una Tikzpicture con le opzioni \code{remember picture,overlay}, il documento deve essere compilato \emph{almeno due volte}.
+\begin{beispiel}[dist]
+ \OX{a,Na} $\rightarrow$ \OX{b,Na}\pch\redox(a,b){ossidazione}
+\end{beispiel}
+Questa linea può essere adattata con chiavi \TikZ in \oa{<tikz>}:
+\begin{beispiel}[dist]
+ \OX{a,Na} $\rightarrow$ \OX{b,Na}\pch\redox(a,b)[->,red]{ox}
+\end{beispiel}
+
+Con l'argomento \oa{<num>} può essere adattata la lunghezza delle linee verticali. L'impostazione predefinita vale \code{.6em}. Questa lunghezza viene moltiplicata per \code{<num>}. Un valore negativo pone la linea \emph{sotto} il testo.
+\begin{beispiel}[dist]
+ \OX{a,Na} $\rightarrow$ \OX{b,Na}\pch
+ \redox(a,b)[->,red]{ox}
+ \redox(a,b)[<-,blue][-1]{red}
+ \vspace{7mm}
+\end{beispiel}
+
+Con la chiave
+\begin{beschreibung}
+ \option[redox]{dist}{<dim>} Default = \code{.6em}
+\end{beschreibung}
+è possibile aggiustare il valore predefinito delle linee verticali:
+\begin{beispiel}[dist]
+ \chemsetup{redox/dist=1em}
+ \OX{a,Na} $\rightarrow$ \OX{b,Na}\pch\redox(a,b)[->,red]{ox}
+\end{beispiel}
+
+Inoltre l'opzione
+\begin{beschreibung}
+ \option[redox]{sep}{<dim>} Default = \code{.2em}
+\end{beschreibung}
+permette di variare la distanza tra atomo e inizio della linea.
+\begin{beispiel}[dist]
+ \chemsetup{redox/sep=.5em}
+ \OX{a,Na} $\rightarrow$ \OX{b,Na}\pch\redox(a,b)[->,red]{ox}
+\end{beispiel}
+
+Esempi:% TODO: watch pagebreaks!
+\begin{beispiel}[dist]
+ \ch{ 2 "\OX{o1,Na}" + "\OX{r1,Cl}" {}2 -> 2 "\OX{o2,Na}" \pch{} + 2
+"\OX{r2,Cl}" \mch }
+ \redox(o1,o2){\small OX: $- 2\el$}
+ \redox(r1,r2)[][-1]{\small RED: $+ 2\el$}
+ \vspace{7mm}
+\end{beispiel}
+
+\begin{beispiel}[dist]
+ \ch{ 2 "\OX{o1,\ox{0,Na}}" + "\OX{r1,\ox{0,Cl}}" {}2 -> 2 "\OX{o2,\ox{+1,Na}}"
+\pch{} + 2 "\OX{r2,\ox{-1,Cl}}" \mch }
+ \redox(o1,o2){\small OX: $- 2\el$}
+ \redox(r1,r2)[][-1]{\small RED: $+ 2\el$}
+ \vspace{7mm}
+\end{beispiel}
+\bspmidlength{dist}{15mm}
+\begin{beispiel}[dist]
+ \ch{ 2 "\OX{o1,\ox{0,Na}}" + "\OX{r1,\ox{0,Cl}}" {}2 -> 2 "\OX{o2,\ox{+1,Na}}"
+\pch{} + 2 "\OX{r2,\ox{-1,Cl}}" \mch }
+ \redox(o1,o2)[draw=red,->][3.33]{\small OX: $- 2\el$}
+ \redox(r1,r2)[draw=blue,->]{\small RED: $+ 2\el$}
+\end{beispiel}
+\newpage
+\bspmidlength{dist}{7mm}
+ \begin{beispiel}[dist]
+ \ch{ 2 "\OX{o1,\ox{0,Na}}" + "\OX{r1,\ox{0,Cl}}" {}2 -> 2 "\OX{o2,\ox{+1,Na}}"
+\pch{} + 2 "\OX{r2,\ox{-1,Cl}}" \mch }
+ \redox(o1,o2)[green,-stealth]{\small OX}
+ \redox(r1,r2)[purple,-stealth][-1]{\small RED}
+ \vspace{7mm}
+\end{beispiel}
+\secidx*{Reazioni redox}
+
+\section{Stati (standard), termodinamica}\label{sec:standardstate}\secidx{Termodinamica}
+\subsection{Grandezze termodinamiche}\label{ssec:siunitx}
+I comandi seguenti impiegano \paket{siunitx}:
+\begin{beschreibung}
+ \Befehl{Enthalpy}[<options>]\da{<subscript>}\ma{<value>}
+ \Befehl{Entropy}[<options>]\da{<subscript>}\ma{<value>}
+ \Befehl{Gibbs}[<options>]\da{<subscript>}\ma{<value>}
+\end{beschreibung}
+
+Il loro utilizzo si spiega da sé:
+\begin{beispiel}
+ \Enthalpy{123} \\
+ \Entropy{123} \\
+ \Gibbs{123}
+\end{beispiel}
+L'argomento \da{<subscript>} inserisce un pedice descrittivo: \cmd{Enthalpy}(r){123} \Enthalpy(r){123}.
+
+Questi comandi possono essere adattati tramite diverse opzioni:
+\begin{beschreibung}
+ \Option*{exponent}{<anything>}
+ \Option*{delta}{<anything>/false}
+ \Option*{subscript}{left/right}
+ \Option*{unit}{<unit>}
+\end{beschreibung}
+
+Il valore predefinito dipende dal relativo comando:
+\begin{beispiel}
+ \Enthalpy[unit=\kilo\joule]{-285} \\
+ \Gibbs[delta=false]{0} \\
+ \Entropy[delta=\Delta,exponent=]{56.7}
+\end{beispiel}
+
+Numero e unità vengono composti secondo le regole di \paket{siunitx}, e dipendono dalle sue impostazioni:
+\begin{beispiel}
+ \Enthalpy{-1234.56e3} \\
+ \sisetup{per-mode=symbol,exponent-product=\cdot,output-decimal-marker={,},group-four-digits=true}
+ \Enthalpy{-1234.56e3}
+\end{beispiel}
+
+\subsubsection{Definizione di nuove grandezze}
+Con il comando
+\begin{beschreibung}
+ \Befehl{DeclareChemState}[<options>]{<name>}\ma{<symbol>}\ma{<unit>}
+\end{beschreibung}
+è possibile definire nuove grandezze.
+\begin{beispiel}
+ \DeclareChemState{Helmholtz}{A}{\kilo\joule\per\mole}
+ \DeclareChemState[subscript-left=false,exponent=]{ElPot}{E}{\volt}
+ \Helmholtz{123.4} \\
+ \ElPot{-1.1} \\
+ \ElPot[exponent=0]($\ch{Sn}|\ch{Sn^2+}||\ch{Pb^2+}|\ch{Pb}$){0.01}
+\end{beispiel}
+
+Questo comando ha opzioni quasi identiche a quelle delle grandezze stesse, con le quali possono essere variate le impostazioni predefinite delle nuove grandezze.
+\begin{beschreibung}
+ \Option*{exponent}{<anything>}
+ \Option*{delta}{<anything>/false}
+ \Option*{subscript-left}{true/false}
+ \Option*{subscript}{<anything>}
+\end{beschreibung}
+
+\subsubsection{Ridefinire grandezze}
+Con
+\begin{beschreibung}
+ \Befehl{RenewChemState}[<options>]{<name>}\ma{<symbol>}\ma{<unit>}
+\end{beschreibung}
+è possibile ridefinire grandezze preesistenti:
+
+\begin{beispiel}
+ \RenewChemState{Enthalpy}{h}{\joule}
+ \Enthalpy(f){12.5}
+\end{beispiel}
+Il comando è analogo a \cmd{DeclareChemState}, cioè ha le stesse opzioni.
+
+Sarebbe quindi possibile \textendash\ seguendo le convenzioni termodinamiche \textendash\ definire una grandezza molare ed una assoluta:
+\begin{beispiel}
+ \DeclareChemState[exponent=]{enthalpy}{h}{\kilo\joule\per\mole}% molar
+ \RenewChemState[exponent=]{Enthalpy}{H}{\kilo\joule}% absolute
+ \enthalpy{-12.3} \Enthalpy{-12.3}
+\end{beispiel}
+
+\subsection{Grandezze di stato}\label{ssec:state}
+I comandi presentati nel paragrafo \ref{ssec:siunitx} internamente impiegano il comando\footnote{Si faccia attenzione che \ma{<subscript>} è un argomento \emph{opzionale}.}
+\begin{beschreibung}
+ \Befehl{State}[<options>]{<symbol>}\ma{<subscript>}
+\end{beschreibung}
+Questi può essere utilizzato per scrivere le grandezze senza valore e unità.
+
+Esempi:
+\begin{beispiel}
+ \State{A}, \State{G}{f}, \State[subscript-left=false]{E}{\ch{Na}}, \State[exponent=\SI{1000}{\celsius}]{H}
+\end{beispiel}
+
+Nuovamente ha opzioni (quasi) identiche:
+\begin{beschreibung}
+ \item \key[state]{exponent}{<anything>}
+ \item \key[state]{subscript-left}{true/false}
+ \item \key[state]{delta}{<anything>/false}
+\end{beschreibung}
+\secidx*{Termodinamica}
+
+\section{Spettroscopia e valori sperimentali}\label{sec:spektroskopie}\secidx{Spettroscopia}
+\subsection{Il comando \code{\textbackslash\textcolor{code}{NMR}}}
+Quando delle sostanze vengono analizzate per verificare se sono quello che si è previsto, spesso viene impiegata la spettroscopia NMR. I valori sperimentali sono riportati all'incirca così:
+\begin{center}
+ \NMR(400)[CDCl3] = \num{1.59}
+\end{center}
+\chemmacros mette a disposizione un comando che semplifica questa stesura (impiega \paket{siunitx}).
+
+\begin{beschreibung}
+ \Befehl{NMR}{<num>,<elem>}\da{<num>,<unit>}\oa{<solvent>}
+ \Befehl{NMR*}{<num>,<elem>}\da{<num>,<unit>}\oa{<solvent>}
+\end{beschreibung}
+
+\emph{Tutti} gli argomenti sono opzionali! Senza argomenti\footnote{Tutti gli argomenti possono essere combinati a piacimento. Il comando può essere impiegato anche in modo matematico.} si ottiene:
+\begin{beispiel}
+ \NMR \\
+ \NMR*
+\end{beispiel}
+
+Il primo argomento specifica il tipo di analisi NMR eseguito:
+\begin{beispiel}
+ \NMR{13,C}
+\end{beispiel}
+
+Con il secondo argomento viene riportata la frequenza utilizzata (in \si{\mega\hertz}):
+\begin{beispiel}
+ \NMR(400)
+\end{beispiel}
+Anche munita della sua unità:
+\begin{beispiel}
+ \NMR(4e8,\hertz)
+\end{beispiel}
+Nota bene: le impostazioni del pacchetto \paket{siunitx} hanno effetto anche su questo comando:
+\begin{beispiel}
+ \sisetup{exponent-product=\cdot}\NMR(4e8,\hertz)
+\end{beispiel}
+
+Con il terzo argomento può essere indicato il solvente:
+\begin{beispiel}
+ \NMR[CDCl3]
+\end{beispiel}
+
+\subsection{Abbreviazioni}
+Dato che all'interno di un singolo documento alcuni nuclei possono essere necessari più di una volta, \chemmacros offre una possibilità di definire delle abbreviazioni.
+\begin{beschreibung}
+ \Befehl{DeclareChemNMR}{<csname>}\ma{<num>,<atom>}
+ \Befehl{RenewChemNMR}{<csname>}\ma{<num>,<atom>}
+\end{beschreibung}
+Questo definisce un comando con gli stessi argomenti di \cmd{NMR} \emph{eccetto} \ma{<num>,<atom>}.
+\begin{beispiel}
+ \DeclareChemNMR\HNMR{1,H}%
+ \DeclareChemNMR\CNMR{13,C}%
+ \CNMR*(100) \\
+ \HNMR*(400)
+\end{beispiel}
+
+\subsection{Un ambiente per elencare valori sperimentali}
+Per facilitare l'elenco di valori sperimentali, \chemmacros offre un ambiente dedicato.
+\begin{beschreibung}\catcode`\#=11
+ \umg{experimental}{Dati} Ambiente per la stesura di dati sperimentali. All'interno di questo ambiente sono definiti i comandi seguenti.
+ \Befehl{data}{<tipo>}\oa{<specifiche>} \cnpkgdocarrow\ Tipo dei dati, p.es.\ IR, MS\ldots\ Nell'argomento opzionale possono essere inserite specifiche ulteriori che vengono stampate in parentesi tonde.
+ \Befehl{data*}{<tipo>}\oa{<specifiche>} \cnpkgdocarrow\ Come \cmd{data}, ma restituisce \code{:} anziché \code{=}, se è impostato \key{use-equal}{false}.
+ \befehl{J}[<unit>]{<list of nums>} Costante di accoppiamento; i valori sono inseriti separati da \code{;}. Per NMR.
+ \befehl{#}{<num>} Numero di nuclei. Per NMR.
+ \befehl{pos}{<num>} Posizione/numero del nucleo. Per NMR.
+ \befehl{val}{<num>} Valore numerico, un alias per \lstinline+\num{<num>}+ di \paket*{siunitx}
+ \befehl{val}{<num1>-{}-<num2>} Un alias per \lstinline+\numrange{<num1>}{<num2>}+ di \paket*{siunitx}
+\end{beschreibung}
+
+\begin{beispiel}
+ \begin{experimental}
+ \data{tipo1} dati.
+ \data{tipo2}[specifiche] altri dati.
+ \data*{tipo3} ulteriori dati.
+ \end{experimental}
+\end{beispiel}
+
+\subsection{Personalizzazione}
+L'output dell'ambiente e dei comandi NMR può essere adattato con una serie di opzioni. Per ragioni storiche appartengono al modulo \textcolor{module}{\code{nmr}}.
+\begin{beschreibung}
+ \option[nmr]{unit}{<unit>} Default = \lstinline=\mega\hertz=
+ \option[nmr]{nucleus}{\{<num>,<atom>\}} Default = \ma{1,H}
+ \option[nmr]{format}{<commands>} ad esempio \lstinline=\bfseries=
+ \option[nmr]{pos-number}{side/sub} posizione del numero vicino all'atomo. Default = \code{side}
+ \option[nmr]{coupling-unit}{<unit>} Un'unità di \paket{siunitx}. Default = \lstinline=\hertz=
+ \option[nmr]{parse}{true/false} Trattare il solvente come formula di \paket{mhchem}/\chemformula o meno. Default = \code{true}
+ \option[nmr]{delta}{<token>} I \code{<token>} vengono inseriti dopo $\delta$.
+ \option[nmr]{list}{true/false} L'ambiente \env{nmr}[<optionen>]{} viene formattato come lista. Default = \code{false}
+ \option[nmr]{list-setup}{<setup>} Setup della lista. Default = vedi in basso.
+ \option[nmr]{use-equal}{\default{true}/false} Inserire segno di uguale dopo \cmd{NMR} e \cmd{data}. Default = \code{false}
+\end{beschreibung}
+
+Il setup di default della lista:
+\begin{beispiel}[code only]
+ \topsep\z@skip \partopsep\z@skip
+ \itemsep\z@ \parsep\z@ \itemindent\z@
+ \leftmargin\z@
+\end{beispiel}
+
+\begin{beispiel}
+ \begin{experimental}[format=\bfseries]
+ \data{tipo1} dati.
+ \data{tipo2}[specifiche] altri dati.
+ \data*{tipo3} ulteriori dati.
+ \end{experimental}
+\end{beispiel}
+
+Il comando \cmd{NMR} e tutti i comandi definiti con \cmd{DeclareChemNMR} possono essere impiegati al posto di \cmd{data} per dati NMR.
+
+\begin{beispiel}
+ \begin{experimental}[format=\bfseries,use-equal]
+ \data{tipo1} dati.
+ \data{tipo2}[specifiche] altri dati.
+ \NMR ulteriori dati.
+ \end{experimental}
+\end{beispiel}
+
+\subsection{Esempio di applicazione}
+Il codice seguente è riportato in diverse versioni a seconda della selezione delle \code{<opzioni>}. Ovviamente le opzioni possono essere impostate anche globalmente con \cmd{chemsetup}.
+
+\begin{lstlisting}
+\sisetup{separate-uncertainty,per-mode=symbol,detect-all,range-phrase=--}
+\begin{experimental}[<opzioni>]
+ \data*{Resa} \SI{17}{\milli\gram} aghi gialli (\SI{0.04}{\milli\mole}, \SI{13}{\percent}).
+ %
+ \data{Smp.} \SI{277}{\celsius} (DSC).
+ %
+ \NMR(600)[CDCl3] \val{2.01} (s, \#{24}, \pos{5}), \val{2.31} (s, \#{12}, \pos{1}), \val{6.72--6.74} (m, \#{2}, \pos{11}), \val{6.82} (s, \#{8}, \pos{3}), \val{7.05--7.07} (m, \#{2}, \pos{12}), \val{7.39--7.41} (m, \#{4}, \pos{9}), \val{7.48--7.49} (m, \#{4}, \pos{8}).
+ %
+ \NMR{13,C}(150)[CDCl3] \val{21.2} ($+$, \#{4}, \pos{1}), \val{23.4} ($+$, \#{8}, \pos{5}), \val{126.0} ($+$, \#{4}, \pos{9}), \val{128.2} ($+$, \#{8}, \pos{3}), \val{130.8} ($+$, \#{2}, \pos{12}), \val{133.6} ($+$, \#{2}, \pos{11}), \val{137.0} ($+$, \#{4}, \pos{8}), \val{138.6} (q, \#{4}, \pos{2}), \val{140.6} (q, \#{2}, \pos{10}), \val{140.8} (q, \#{8}, \pos{4}), \val{141.8} (q, \#{4}, \pos{6}), \val{145.6} (q, \#{2}, \pos{7}).
+ %
+ \data{MS}[DCP, EI, \SI{60}{\electronvolt}] \val{703} (2, \ch{M+}), \val{582} (1), \val{462} (1), \val{249} (13), \val{120} (41), \val{105} (100).
+ %
+ \data{MS}[\ch{MeOH + H2O + KI}, ESI, \SI{10}{\electronvolt}] \val{720} (100, \ch{M+ + OH-}), \val{368} (\ch{M+ + 2 OH-}).
+ %
+ \data{IR}[KBr] \val{3443} (w), \val{3061} (w), \val{2957} (m), \val{2918} (m), \val{2856} (w), \val{2729} (w), \val{1725} (w), \val{1606} (s), \val{1592} (s), \val{1545} (w), \val{1446} (m), \val{1421} (m), \val{1402} (m), \val{1357} (w), \val{1278} (w), \val{1238} (s), \val{1214} (s), \val{1172} (s), \val{1154} (m), \val{1101} (w), \val{1030} (w), \val{979} (m), \val{874} (m), \val{846} (s), \val{818} (w), \val{798} (m), \val{744} (w), \val{724} (m), \val{663} (w), \val{586} (w), \val{562} (w), \val{515} (w).
+ %
+ \data*{UV-Vis} \SI{386}{\nano\metre} ($\varepsilon = \val{65984}$), \SI{406}{\nano\metre} ($\varepsilon = \val{65378}$).
+ %
+ \data*{Resa quantica} $\Phi = \val{0.74+-0.1}$\,.
+\end{experimental}
+\end{lstlisting}
+
+\subsubsection{Quasi standard}
+Output per \lstinline+<opzioni>: delta=(ppm),pos-number=sub,use-equal+:
+\bigskip
+
+\begin{experimental}[delta=(ppm),pos-number=sub,use-equal]\sisetup{separate-uncertainty,per-mode=symbol,detect-all,range-phrase=--}\chemsetup[chemformula]{format=}
+ \data*{Resa} \SI{17}{\milli\gram} aghi gialli (\SI{0.04}{\milli\mole}, \SI{13}{\percent}).
+ %
+ \data{Smp.} \SI{277}{\celsius} (DSC).
+ %
+ \NMR(600)[CDCl3] \val{2.01} (s, \#{24}, \pos{5}), \val{2.31} (s, \#{12}, \pos{1}), \val{6.72--6.74} (m, \#{2}, \pos{11}), \val{6.82} (s, \#{8}, \pos{3}), \val{7.05--7.07} (m, \#{2}, \pos{12}), \val{7.39--7.41} (m, \#{4}, \pos{9}), \val{7.48--7.49} (m, \#{4}, \pos{8}).
+ %
+ \NMR{13,C}(150)[CDCl3] \val{21.2} ($+$, \#{4}, \pos{1}), \val{23.4} ($+$, \#{8}, \pos{5}), \val{126.0} ($+$, \#{4}, \pos{9}), \val{128.2} ($+$, \#{8}, \pos{3}), \val{130.8} ($+$, \#{2}, \pos{12}), \val{133.6} ($+$, \#{2}, \pos{11}), \val{137.0} ($+$, \#{4}, \pos{8}), \val{138.6} (q, \#{4}, \pos{2}), \val{140.6} (q, \#{2}, \pos{10}), \val{140.8} (q, \#{8}, \pos{4}), \val{141.8} (q, \#{4}, \pos{6}), \val{145.6} (q, \#{2}, \pos{7}).
+ %
+ \data{MS}[DCP, EI, \SI{60}{\electronvolt}] \val{703} (2, \ch{M+}), \val{582} (1), \val{462} (1), \val{249} (13), \val{120} (41), \val{105} (100).
+ %
+ \data{MS}[\ch{MeOH + H2O + KI}, ESI, \SI{10}{\electronvolt}] \val{720} (100, \ch{M+ + OH-}), \val{368} (\ch{M+ + 2 OH-}).
+ %
+ \data{IR}[KBr] \val{3443} (w), \val{3061} (w), \val{2957} (m), \val{2918} (m), \val{2856} (w), \val{2729} (w), \val{1725} (w), \val{1606} (s), \val{1592} (s), \val{1545} (w), \val{1446} (m), \val{1421} (m), \val{1402} (m), \val{1357} (w), \val{1278} (w), \val{1238} (s), \val{1214} (s), \val{1172} (s), \val{1154} (m), \val{1101} (w), \val{1030} (w), \val{979} (m), \val{874} (m), \val{846} (s), \val{818} (w), \val{798} (m), \val{744} (w), \val{724} (m), \val{663} (w), \val{586} (w), \val{562} (w), \val{515} (w).
+ %
+ \data*{UV-Vis} \SI{386}{\nano\metre} ($\varepsilon = \val{65984}$), \SI{406}{\nano\metre} ($\varepsilon = \val{65378}$).
+ %
+ \data*{Resa quantica} $\Phi = \val{0.74+-0.1}$\,.
+\end{experimental}
+
+\subsubsection{Lista formattata}
+Output per \lstinline+<opzioni>: format=\bfseries,delta=(ppm),list=true,use-equal+:
+\bigskip
+
+\begin{experimental}[format=\bfseries,delta=(ppm),list=true,use-equal]\sisetup{separate-uncertainty,per-mode=symbol,detect-all,range-phrase=--}\chemsetup[chemformula]{format=}
+ \data*{Resa} \SI{17}{\milli\gram} aghi gialli (\SI{0.04}{\milli\mole}, \SI{13}{\percent}).
+ %
+ \data{Smp.} \SI{277}{\celsius} (DSC).
+ %
+ \NMR(600)[CDCl3] \val{2.01} (s, \#{24}, \pos{5}), \val{2.31} (s, \#{12}, \pos{1}), \val{6.72--6.74} (m, \#{2}, \pos{11}), \val{6.82} (s, \#{8}, \pos{3}), \val{7.05--7.07} (m, \#{2}, \pos{12}), \val{7.39--7.41} (m, \#{4}, \pos{9}), \val{7.48--7.49} (m, \#{4}, \pos{8}).
+ %
+ \NMR{13,C}(150)[CDCl3] \val{21.2} ($+$, \#{4}, \pos{1}), \val{23.4} ($+$, \#{8}, \pos{5}), \val{126.0} ($+$, \#{4}, \pos{9}), \val{128.2} ($+$, \#{8}, \pos{3}), \val{130.8} ($+$, \#{2}, \pos{12}), \val{133.6} ($+$, \#{2}, \pos{11}), \val{137.0} ($+$, \#{4}, \pos{8}), \val{138.6} (q, \#{4}, \pos{2}), \val{140.6} (q, \#{2}, \pos{10}), \val{140.8} (q, \#{8}, \pos{4}), \val{141.8} (q, \#{4}, \pos{6}), \val{145.6} (q, \#{2}, \pos{7}).
+ %
+ \data{MS}[DCP, EI, \SI{60}{\electronvolt}] \val{703} (2, \ch{M+}), \val{582} (1), \val{462} (1), \val{249} (13), \val{120} (41), \val{105} (100).
+ %
+ \data{MS}[\ch{MeOH + H2O + KI}, ESI, \SI{10}{\electronvolt}] \val{720} (100, \ch{M+ + OH-}), \val{368} (\ch{M+ + 2 OH-}).
+ %
+ \data{IR}[KBr] \val{3443} (w), \val{3061} (w), \val{2957} (m), \val{2918} (m), \val{2856} (w), \val{2729} (w), \val{1725} (w), \val{1606} (s), \val{1592} (s), \val{1545} (w), \val{1446} (m), \val{1421} (m), \val{1402} (m), \val{1357} (w), \val{1278} (w), \val{1238} (s), \val{1214} (s), \val{1172} (s), \val{1154} (m), \val{1101} (w), \val{1030} (w), \val{979} (m), \val{874} (m), \val{846} (s), \val{818} (w), \val{798} (m), \val{744} (w), \val{724} (m), \val{663} (w), \val{586} (w), \val{562} (w), \val{515} (w).
+ %
+ \data*{UV-Vis} \SI{386}{\nano\metre} ($\varepsilon = \val{65984}$), \SI{406}{\nano\metre} ($\varepsilon = \val{65378}$).
+ %
+ \data*{Resa quantica} $\Phi = \val{0.74+-0.1}$\,.
+\end{experimental}
+
+\subsubsection{Buffo}
+Output per \code{<opzioni>}:
+\begin{lstlisting}
+ format=\color{red}\itshape,
+ list=true,
+ delta=\textcolor{green}{\ch{M+ + H2O}},
+ pos-number=side,
+ coupling-unit=\mega\gram\per\square\second,
+ list-setup=,
+ use-equal
+\end{lstlisting}
+
+\begin{experimental}[
+ format=\color{red}\itshape,
+ list=true,
+ delta=\textcolor{green}{\ch{M+ + H2O}},
+ pos-number=side,
+ coupling-unit=\mega\gram\per\square\second,
+ list-setup=,use-equal]\sisetup{separate-uncertainty,per-mode=symbol,detect-all,range-phrase=--}\chemsetup[chemformula]{format=}
+ \data*{Resa} \SI{17}{\milli\gram} aghi gialli (\SI{0.04}{\milli\mole}, \SI{13}{\percent}).
+ %
+ \data{Smp.} \SI{277}{\celsius} (DSC).
+ %
+ \NMR(600)[CDCl3] \val{2.01} (s, \#{24}, \pos{5}), \val{2.31} (s, \#{12}, \pos{1}), \val{6.72--6.74} (m, \#{2}, \pos{11}), \val{6.82} (s, \#{8}, \pos{3}), \val{7.05--7.07} (m, \#{2}, \pos{12}), \val{7.39--7.41} (m, \#{4}, \pos{9}), \val{7.48--7.49} (m, \#{4}, \pos{8}).
+ %
+ \NMR{13,C}(150)[CDCl3] \val{21.2} ($+$, \#{4}, \pos{1}), \val{23.4} ($+$, \#{8}, \pos{5}), \val{126.0} ($+$, \#{4}, \pos{9}), \val{128.2} ($+$, \#{8}, \pos{3}), \val{130.8} ($+$, \#{2}, \pos{12}), \val{133.6} ($+$, \#{2}, \pos{11}), \val{137.0} ($+$, \#{4}, \pos{8}), \val{138.6} (q, \#{4}, \pos{2}), \val{140.6} (q, \#{2}, \pos{10}), \val{140.8} (q, \#{8}, \pos{4}), \val{141.8} (q, \#{4}, \pos{6}), \val{145.6} (q, \#{2}, \pos{7}).
+ %
+ \data{MS}[DCP, EI, \SI{60}{\electronvolt}] \val{703} (2, \ch{M+}), \val{582} (1), \val{462} (1), \val{249} (13), \val{120} (41), \val{105} (100).
+ %
+ \data{MS}[\ch{MeOH + H2O + KI}, ESI, \SI{10}{\electronvolt}] \val{720} (100, \ch{M+ + OH-}), \val{368} (\ch{M+ + 2 OH-}).
+ %
+ \data{IR}[KBr] \val{3443} (w), \val{3061} (w), \val{2957} (m), \val{2918} (m), \val{2856} (w), \val{2729} (w), \val{1725} (w), \val{1606} (s), \val{1592} (s), \val{1545} (w), \val{1446} (m), \val{1421} (m), \val{1402} (m), \val{1357} (w), \val{1278} (w), \val{1238} (s), \val{1214} (s), \val{1172} (s), \val{1154} (m), \val{1101} (w), \val{1030} (w), \val{979} (m), \val{874} (m), \val{846} (s), \val{818} (w), \val{798} (m), \val{744} (w), \val{724} (m), \val{663} (w), \val{586} (w), \val{562} (w), \val{515} (w).
+ %
+ \data*{UV-Vis} \SI{386}{\nano\metre} ($\varepsilon = \val{65984}$), \SI{406}{\nano\metre} ($\varepsilon = \val{65378}$).
+ %
+ \data*{Resa quantica} $\Phi = \val{0.74+-0.1}$\,.
+\end{experimental}
+\secidx*{Spettroscopia}
+
+\section{Comandi per \textsf{mhchem}}\label{sec:mhchem}\secidx{Comandi per \textsf{mhchem}}[Comandi per mhchem]
+\paket{mhchem} non viene più caricato automaticamente, bensì solamente utilizzando l'opzione \key[option]{method}{mhchem} nel preambolo. Per impostazione predefinita \chemmacros utilizza invece \chemformula.
+
+\chemmacros mette a disposizione solo un unico comando speciale per \paket{mhchem}\footnote{\chemformula ha una possibilità diversa per ottenere lo stesso risultato.}. Questo permette di inserire del testo al di sotto di una formula.
+\begin{beschreibung}
+ \Befehl{mhName}[<options>]{<formula>}\ma{<text>}
+\end{beschreibung}
+
+Per esempio:
+\begin{beispiel}
+ \ce{4 C2H5Cl + Pb / Na -> \mhName{Pb(C2H5)4}{former antiknock additive} + NaCl}
+\end{beispiel}
+
+Con le opzioni seguenti può essere adattato \cmd{mhName}:
+\begin{beschreibung}
+ \option[mhName]{align}{<alignment command>} L'orientamento del testo all'interno del box in cui viene scritto. Default = \lstinline+\centering+
+ \option[mhName]{format}{<anything>} Il formato del testo.
+ \option[mhName]{fontsize}{<font size command>} La dimensione del testo. Default = \lstinline+\tiny+
+ \option[mhName]{width}{<dim>/auto} La larghezza del box all'interno di cui viene scritto il testo. Default = \code{auto}
+\end{beschreibung}
+\begin{beispiel}
+ \ce{4 C2H5Cl + Pb / Na -> \mhName[fontsize=\footnotesize]{Pb(C2H5)4}{former antiknock additive} + NaCl}\\
+ \chemsetup[mhName]{align=\raggedright,fontsize=\small,format=\bfseries\color{red},width=3cm}
+ \ce{4 C2H5Cl + Pb / Na -> \mhName{Pb(C2H5)4}{former antiknock additive} + NaCl}
+\end{beispiel}
+\secidx*{Comandi per \textsf{mhchem}}[Comandi per mhchem]
+
+\section{Ambienti di reazione}\label{sec:reactions}\secidx{Ambienti di reazione}
+\subsection{Definiti da \chemmacros}
+Sono disponibili i seguenti ambienti per reazioni numerate\ldots
+\begin{beschreibung}
+ \Umg{reaction}{<formula or mhchem code>}
+ \Umg{reactions}{<formula or mhchem code>}
+\end{beschreibung}
+
+\ldots e le loro versioni asteriscate per reazioni non numerate.
+\begin{beschreibung}
+ \Umg{reaction*}{<formula or mhchem code>}
+ \Umg{reactions*}{<formula or mhchem code>}
+\end{beschreibung}
+In questo modo è possibile inserire reazioni (non) numerate in modo analogo alle equazioni matematiche.
+
+Per rappresentare le reazioni gli ambienti \code{reaction}/\code{reaction*} internamente utilizzano ambienti \code{equation}/\code{equation*}, e gli ambienti \code{reactions}/\code{reactions*} utilizzano gli ambienti \code{align}/\code{align*}.
+
+\begin{beispiel}
+ reazione con contatore:
+ \begin{reaction}
+ A -> B
+ \end{reaction}
+\end{beispiel}
+
+\begin{beispiel}
+ reazione senza contatore:
+ \begin{reaction*}
+ C -> D
+ \end{reaction*}
+\end{beispiel}
+
+\begin{beispiel}
+ più reazioni allineate, con contatore:
+ \begin{reactions}
+ A &-> B + C \\
+ D + E &-> F
+ \end{reactions}
+\end{beispiel}
+
+\begin{beispiel}
+ più reazioni allineate, senza contatore:
+ \begin{reactions*}
+ G &-> H + I \\
+ J + K &-> L
+ \end{reactions*}
+\end{beispiel}
+
+Quando si desidera cambiare il formato dell'etichetta, è possibile usare
+\begin{beschreibung}
+ \Befehl{renewtagform}{<tagname>}\oa{<format>}\ma{<right delim>}\ma{<left delim>}\footnote{Messo a disposizione dal pacchetto \paket*{mathtools}.}.
+\end{beschreibung}
+
+\begin{beispiel}
+ \renewtagform{reaction}[R \textbf]{[}{]}
+ \begin{reaction}
+ H2O + CO2 <<=> H2CO3
+ \end{reaction}
+\end{beispiel}
+
+Dalla versione 3.3 i riferimenti incrociati e l'\cmd{intertext} di \AmS math funzionano come ci si aspetta:
+\begin{beispiel}
+ \begin{reactions}
+ A + 2 B &-> 3 C + D \label{rxn:test}
+ \intertext{Un po' di testo tra due reazioni allineate.}
+ 3 E + F &<=> G + 1/2 H
+ \end{reactions}
+ Vedi reazione \ref{rxn:test}.
+\end{beispiel}
+
+\achtung{Nell'impostazione predefinita, cioè con \key{method}{chemformula}, è sconsigliato utilizzare \cmd{mch} e i comandi simili all'interno degli ambienti \code{reaction}. Nella maggior parte dei casi scombinano l'allineamento corretto. Nell'impostazione predefinita le cariche riconoscono automaticamente l'impostazione dell'opzione \key{circled} all'interno degli ambienti, in modo che i comandi non sono nemmeno necessari.}
+
+\subsection{Reazioni proprie}
+Attraverso il comando
+\begin{beschreibung}
+ \Befehl{DeclareChemReaction}[<options>]{<name>}\ma{<math name>}
+\end{beschreibung}
+è possibile definire nuovi ambienti di reazione.
+
+\code{<name>} sarà il nome del nuovo ambiente. \code{<math name>} è il tipo di ambiente matematico impiegato.
+
+Il comando ha due opzioni.
+\begin{beschreibung}
+ \Option*{star}{\default{true}/false}
+ \Option*{arg}{\default{true}/false}
+\end{beschreibung}
+La prima opzione è \key*{star}, che definisce anche la variante asteriscata, ammesso che esista l'equivalente ambiente matematico. In caso contrario restituirà un errore.
+
+La seconda opzione è \key*{arg}, che viene impiegata per definire un ambiente con un argomento obbligatorio. Anche in questo caso l'opzione è valida solamente se anche l'ambiente matematico corrispondente ha un argomento obbligatorio.
+
+Gli ambienti predefiniti sono stati definiti attraverso
+\begin{beschreibung}
+ \Befehl{DeclareChemReaction}[star]{reaction}\ma{equation} und
+ \Befehl{DeclareChemReaction}[star]{reactions}\ma{align}.
+\end{beschreibung}
+
+Ammettiamo che l'utente voglia definire un ambiente con il comportamento dell'ambiente \code{alignat} per reazioni di \chemformula-/\paket{mhchem}. È possibile fare il seguente:
+\begin{beispiel}[code only]
+ \DeclareChemReaction[star,arg]{reactionsat}{alignat}
+\end{beispiel}
+
+In questo modo si è definito l'ambiente \code{reactionsat}.
+\begin{beispiel}
+ \DeclareChemReaction[star,arg]{reactionsat}{alignat}
+ \begin{reactionsat}{3}
+ A &-> B &&-> C &&-> D \\
+ aaaaa &-> bbbbb &&-> ccccc &&-> ddddd
+ \end{reactionsat}
+ \begin{reactionsat*}{2}
+ A &-> B & C &-> D \\
+ aaaaa &-> bbbbb &\quad{} ccccc &-> ddddd
+ \end{reactionsat*}
+\end{beispiel}
+
+\subsection{Lista delle reazioni}
+\chemmacros mette a disposizione un comando per elencare le reazioni inserite attraverso ambienti di reazione.
+\begin{beschreibung}
+ \Befehl{listofreactions}
+\end{beschreibung}
+\begin{beispiel}[below]
+ \listofreactions
+\end{beispiel}
+
+L'output può essere adattato con le opzioni seguenti:
+\begin{beschreibung}
+ \option[reaction]{list-name}{<name of the list>} Imposta il titolo della lista. Default = \code{Reaktionsverzeichnis}
+ \option[reaction]{list-entry}{<prefix to each entry>} Prefisso di ogni voce. Default = \code{reazione}
+\end{beschreibung}
+Entrambi i valori predefiniti reagiscono all'opzione di lingua \key[option]{german}.
+
+Un'alternativa all'impostazione dell'opzione \key{list-name} è di ridefinire \cmd{reactionlistname}.
+
+Nell'elenco vengono elencate esclusivamente tutte le reazioni numerate. Tutte le reazioni non asteriscate hanno un argomento opzionale, attraverso il quale è possibile aggiungere una descrizione della reazione nell'elenco.
+\begin{beispiel}
+ \begin{reaction}[Autoprotolisi]
+ 2 H2O <<=> H3O+ + OH-
+ \end{reaction}
+\end{beispiel}
+Questo non funzionerà quando viene impiegato l'ambiente \code{reactions}. In questo caso è possibile utilizare
+\begin{beschreibung}
+ \Befehl{AddRxnDesc}{<description>}
+\end{beschreibung}
+
+\begin{beispiel}
+ \begin{reactions}
+ Cl "\Lewis{0.,\vphantom{Cl}}" + CH4 &-> HCl + "\Lewis{4.,\vphantom{CH}}" CH3 \AddRxnDesc{first~step~of~chain} \\
+ "\Lewis{4.,\vphantom{CH}}" CH3 + Cl2 &-> CH3Cl + Cl "\Lewis{0.,\vphantom{Cl}}" \AddRxnDesc{second~step~of~chain}
+ \end{reactions}
+\end{beispiel}
+Nota: non è necessario impiegare i comandi \enquote{phantom}, se il formato degli atomi non è stato variato, vedi il paragrafo \ref{sec:format} a pagina \pageref{sec:format}.
+\secidx*{Ambienti di reazione}
+
+\section{Fasi}\label{sec:phasen}\secidx{Fasi}
+\subsection{Basi}\secidx[Basi]{Fasi}
+Questi comandi sono pensati per indicare la fase di una sostanza.
+\begin{beschreibung}
+ \befehl{sld} \sld
+ \befehl{lqd} \lqd
+ \befehl{gas} \gas
+ \befehl{aq} \aq
+\end{beschreibung}
+
+\achtung{Il comportamento predefinito dei comandi di fase è variato per seguire le raccomandazioni \IUPAC. Sia \cmd{sld} che \cmd{lqd} non hanno più nessun argomento opzionale.}
+
+\begin{beispiel}
+ \ch{C\sld{} + 2 H2O\lqd{} -> CO2\gas{} + 2 H2\gas}\\
+ per completezza: NaCl\aq.
+\end{beispiel}
+
+Con l'opzione \key{language}{english} (vedi il paragrafo \ref{sec:optionen}) si ottengono le versioni in inglese.
+
+La raccomandazione \IUPAC\footnote{Ringrazio Paul King del suggerimento.} per indicare uno stato di aggregazione è di porlo tra parentesi dopo la formula \cite{iupac:greenbook}. Tuttavia è molto diffusa l'indicazione in pedice.
+
+\begin{zitat}[{\IUPAC Green Book \cite[][p.\,54]{iupac:greenbook}}]
+ The [\ldots] symbols are used to represent the states of aggregation of chemical species. The letters are appended to the formula in parentheses and should be printed in Roman (upright) type without a full stop (period).
+\end{zitat}
+
+Vi sono due opzioni per adattare l'output:
+\begin{beschreibung}
+ \option[phases]{pos}{side/sub} Cambia la posizione dell'indicatore di fase. Default = \code{side}
+ \option[phases]{space}{<dim>} Varia l'interspazio tra formula e indicatore di fase per \key{pos}{side}. Una grandezza di \TeX. Default = \code{.1333em}
+\end{beschreibung}
+\begin{beispiel}
+ \chemsetup[phases]{pos=sub}
+ \ch{C\sld{} + 2 H2O\lqd{} -> CO2\gas{} + 2 H2\gas}\\
+ per completezza: NaCl\aq.
+\end{beispiel}
+
+\subsection{Definire fasi proprie}\secidx[proprie]{Fasi}
+Dipendentemente dall'argomento del documento può essere necessario indicare ulteriori stati di aggregazione; questi possono essere definiti convenientemente:
+\begin{beschreibung}
+ \Befehl{DeclareChemPhase}{<cmd>}\oa{<german>}\ma{<english>}
+ \Befehl{RenewChemPhase}{<cmd>}\oa{<german>}\ma{<english>}
+ \befehl{phase}{<phase>} Quando è necessario impiegare la fase solo poche volte.
+\end{beschreibung}
+\cmd{DeclareChemPhase} definisce la fase solamente se \code{<cmd>} non esiste ancora. Altrimenti \chemmacros dà un avvertimento o un errore, dipendentemente dall'opzione \key{strict}. \cmd{RenewChemParticle} definisce una fase \emph{solamente} se \code{<cmd>} esiste di già, e dà un avvertimento/un errore in caso opposto.
+\begin{beispiel}
+ \DeclareChemPhase{\aqi}{aq,$\infty$}% aqueous solution at infinite dilution
+ \DeclareChemPhase{\cd}{cd}% condensed phase
+ \RenewChemPhase{\lqd}{lc}% liquid crystal
+ NaOH\aqi\ \ch{H2O\cd} U\phase{cr} A\lqd \\
+ \chemsetup[phases]{pos=sub}
+ NaOH\aqi\ \ch{H2O\cd} U\phase{cr} A\lqd
+\end{beispiel}
+\secidx*{Phasen}
+
+\section{Proiezioni di Newman}\label{sec:newman}\secidx{Proiezioni di Newman}
+\chemmacros mette a disposizione il comando
+\begin{beschreibung}
+ \Befehl{newman}[<options>]\da{<angle>}\ma{<1>,<2>,<3>,<4>,<5>,<6>}
+\end{beschreibung}
+che permette di rappresentare proiezioni di Newman (impiega \TikZ). L'argomento \da{<angle>} gira gli atomi posteriori in senso antiorario rispetto agli atomi anteriori.
+\begin{beispiel}
+ \newman{} \newman(170){}
+ \newman{1,2,3,4,5,6} \newman{1,2,3} \newman{,,,4,5,6}
+\end{beispiel}
+
+Sono disponibili diverse opzioni per adattare il comando:
+\begin{beschreibung}
+ \option[newman]{angle}{<angle>} Angolo predefinito. Default = \code{0}
+ \option[newman]{scale}{<factor>} Scala l'intera proiezione. Default = \code{1}
+ \option[newman]{ring}{<tikz>} Adatta l'aspetto dell'anello con chiavi di \TikZ.
+ \option[newman]{atoms}{<tikz>} Adatta l'aspetto dei nodi contenenti gli atomi con chiavi di \TikZ.
+ \option[newman]{back-atoms}{<tikz>} Adatta solo gli atomi posteriori.
+\end{beschreibung}
+
+\begin{beispiel}
+ \chemsetup[newman]{angle=45} \newman{}
+ \newman[scale=.75,ring={draw=blue,fill=blue!20}]{}
+\end{beispiel}
+\begin{beispiel}
+ \chemsetup[newman]{atoms={draw=red,fill=red!20,inner sep=2pt,rounded corners}}
+ \newman{1,2,3,4,5,6}
+\end{beispiel}
+\begin{beispiel}
+ \chemsetup[newman]{
+ atoms = {draw=red,fill=red!20,inner sep=2pt,rounded corners},
+ back-atoms = {draw=blue,fill=blue!20,inner sep=2pt,rounded corners}
+ }
+ \newman{1,2,3,4,5,6} \newman(170){1,2,3,4,5,6}
+\end{beispiel}
+\secidx*{Proiezioni di Newman}
+
+%TODO watch pagebreaks!
+\section{Orbitali s, p e ibridi}\label{sec:orbitale}\secidx{Orbitali}
+\chemmacros mette a disposizione un comando per rappresentare gli orbitali:
+\begin{beschreibung}
+ \Befehl{orbital}[<options>]{<type}
+\end{beschreibung}
+
+Sono disponibili i seguenti tipi orbitalici \ma{<type>}:
+\begin{description}
+ \item \code{s}
+ \item \code{p}
+ \item \code{sp}
+ \item \code{sp2}
+ \item \code{sp3}
+\end{description}
+
+\begin{beispiel}
+ \orbital{s} \orbital{p} \orbital{sp} \orbital{sp2} \orbital{sp3}
+\end{beispiel}
+
+A seconda del tipo sono disponibili diverse opzioni per modificare l'orbitale:
+\begin{beschreibung}
+ \option[orbital]{phase}{\default{+}/-} Varia la fase dell'orbitale (tutti i tipi).
+ \option[orbital]{scale}{<factor>} Varia la dimensione dell'orbitale (tutti i tipi).
+ \option[orbital]{color}{<color>} Varia il colore dell'orbitale (tutti i tipi).
+ \option[orbital]{angle}{<angle>} Ruota gli orbitali con un contributo p in senso antiorario (tutti i tipi tranne \code{s}).
+ \option[orbital]{half}{\default{true}/false} mette a disposizione solo metà orbitale (solo per \code{p}).
+\end{beschreibung}
+
+\begin{beispiel}
+ \orbital{s} \orbital[phase=-]{s}
+ \orbital{p} \orbital[phase=-]{p}
+ \orbital{sp3} \orbital[phase=-]{sp3}
+
+ \orbital[angle=0]{p} \orbital[color=red!50]{p} \orbital[angle=135,scale=1.5]{p} \orbital[half]{p}
+\end{beispiel}
+
+Inoltre esistono due opzioni attraverso le quali si può influenzare il comportamento di \TikZ:
+\begin{beschreibung}
+ \option[orbital]{overlay}{\default{true}/false} L'orbitale \enquote{non ha bisogno di spazio}; viene disegnato con la chiave di \TikZ \code{overlay}.
+ \option[orbital]{opacity}{<num>} L'orbitale diviene trasparente; \code{<value>} accetta valori compresi tra \code{1} (opaco) e \code{0} (trasparente).
+\end{beschreibung}
+
+\begin{beispiel}[dist]
+ \hspace{1cm}
+ \chemsetup[orbital]{
+ overlay,
+ p/color = black!70
+ }
+ \setbondoffset{0pt}
+ \chemfig{?\orbital{p}-[,1.3]{\orbital[phase=-]{p}}-[:30,1.1]\orbital{p}-[:150,.9]{\orbital[phase=-]{p}}-[4,1.3]\orbital{p}-[:-150,1.1]{\orbital[phase=-]{p}}?}
+ \vspace{7mm}
+\end{beispiel}
+\bspmidlength{dist}{10mm}
+\begin{beispiel}[dist]
+ \hspace{2cm}
+ \setbondoffset{0pt}
+ \chemsetup[orbital]{
+ overlay ,
+ opacity = .75 ,
+ p/scale = 1.6 ,
+ s/color = blue!50 ,
+ s/scale = 1.6
+ }
+ \chemfig{\orbital{s}-[:-20]{\orbital[scale=2]{p}}{\orbital[half,angle=0]{p}}{\orbital[angle=170,half]{p}}{\orbital[angle=-150,half]{p}}(-[:-150]\orbital{s})-\orbital{s}}
+ \vspace{1cm}
+\end{beispiel}
+\bspmidlength{dist}{7mm}
+\secidx*{Orbitali}\secidx*{CHEMMACROS}
+
+\part{\texorpdfstring{\Chemformula}{chemformula}}\label{part:chemformula}\chemsetup[chemformula]{format=}\secidx{CHEMFORMULA}
+\section{Impostazioni}
+Tutte le opzioni di \chemformula appartengono al modulo \textcolor{module}{\code{chemformula}}. Quindi possono essere impostate attraverso
+\begin{beispiel}[code only]
+ \chemsetup[chemformula]{<options>} oppure
+ \chemsetup{chemformula/<option1>,chemformula/<option2>}
+\end{beispiel}
+
+Possono inoltre essere passati direttamente come opzioni al comando \cmd{ch}.
+
+\section{Principio di base}
+\chemformula ha un comando di base.
+\begin{beschreibung}
+ \Befehl{ch}[<options>]{<input>}
+\end{beschreibung}
+
+Il suo utilizzo sarà intuitivo per l'utente che conosce \paket{mhchem}:
+\begin{beispiel}
+ \ch{H2O} \\
+ \ch{Sb2O3} \\
+ \ch{H+} \\
+ \ch{CrO4^2-} \\
+ \ch{AgCl2-} \\
+ \ch{[AgCl2]-} \\
+ \ch{Y^{99}+} \\
+ \ch{Y^{99+}} \\
+ \ch{H2_{(aq)}} \\
+ \ch{NO3-} \\
+ \ch{(NH4)2S} \\
+ \ch{^{227}_{90}Th+} \\
+ $V_{\ch{H2O}}$ \\
+ \ch{Ce^{IV}} \\
+ \ch{KCr(SO4)2 * 12 H2O}
+\end{beispiel}
+
+Tuttavia esistono delle differenze. La più importante è: \chemformula distingue diversi tipi di input. Questi tipi diversi \emph{devono} essere necessariamente separati da spazi:
+\begin{beschreibung}
+ \Befehl{ch}{type1 type2 type3 type4}
+\end{beschreibung}
+
+Uno spazio nell'input non corrisponde \emph{mai} ad uno spazio nell'output. Il ruolo dello spazio vale strettamente, e quando non viene seguito può produrre output erratico.
+
+Un ulteriore differenza importante è: \chemformula cerca di evitare il modo matematico quanto più possibile:
+\begin{beispiel}
+ \ch{A + B ->[a] C} \\
+ \ce{A + B ->[a] C}
+\end{beispiel}
+
+Il primo punto significa che \cmd{ch}{2H2O} viene considerata come \emph{una} particella, in questo caso una formula bruta.
+\begin{beispiel}
+ \ch{2H2O} \\
+ \ch{2 H2O}
+\end{beispiel}
+Ciò significa inoltre che una particella non può contenere spazi perché verrebbe automaticamente divisa in due parti. Quando necessario, uno spazio può essere introdotto con \lstinline+~+. Dato che la maggior parte delle macro ignora gli spazi seguenti, un input del tipo di \cmd{ch}{\textbackslash command ABC} viene trattato come un'unità. Nel caso sia desiderato separare un input di questo tipo è necessario introdurre un gruppo vuoto: \cmd{ch}{\textbackslash command\{\} ABC}. I diversi tipi di input sono trattati separatamente in seguito.
+
+Il comando \cmd{ch} ha alcune opzioni per modificare l'output. Possono essere impostate localmente come argomenti opzionali oppure globalmente con il comando
+\begin{beschreibung}
+ \Befehl{chemsetup}[chemformula]{<options>}
+\end{beschreibung}
+Tutte le opzioni di \chemformula appartengono al modulo \textcolor{module}{\code{chemformula}}.
+
+\section{Fattori stechiometrici}\secidx{Fattori stechiometrici}
+Un fattore stechiometrico deve contenere solo cifre e simboli tra \lstinline+.,_/()+.
+\begin{beispiel}
+ \ch{2} \\
+ \ch{12}
+
+ % decimals:
+ \ch{3.5} \\
+ \ch{5,75}
+
+ % fractions:
+ \ch{3/2} \\
+ \ch{1_1/2}
+\end{beispiel}
+
+Nell'input è necessario badare alla sintassi giusta, anche se ritengo che sia piuttosto intuitiva.
+\begin{beispiel}[code only]
+ questo non funzionerà, ma darà invece un errore: \ch{1/1_1}
+\end{beispiel}
+
+Quando i fattori stechiometrici sono scritti tra parentesi le frazioni non vengono convertite. Il testo inserito tra parentesi viene restituito nello stesso modo.
+\begin{beispiel}
+ \ch{(1/2) H2O} \ch{1/2 H2O} \ch{0.5 H2O}
+\end{beispiel}
+Numerosi esempi come il seguente per l'utilizzo delle parentesi per racchiudere fattori stechiometrici possono essere trovati per esempio nello „\IUPAC Green Book“ \cite{iupac:greenbook}:
+\begin{reaction*}
+ (1/5) K "\ox*{7,Mn}" O4 + (8/5) HCl == (1/5) "\ox*{2,Mn}" Cl2 + (1/2) Cl2 + (1/5) KCl + (4/5) H2O
+\end{reaction*}
+
+L'output può essere adattato utilizzando le opzioni seguenti:
+\begin{beschreibung}
+ \option{decimal-marker}{<marker>} Il simbolo usato come separatore decimale. Default = \code{.}
+ \option{frac-style}{math/xfrac/nicefrac} Determina come vengono rappresentate le frazioni. Default = \code{math}
+ \option{stoich-space}{<dim>} La dimensione dello spazio dopo un fattore stechiometrico. Una dimensione di \TeX. Default = \lstinline=.1667em=
+\end{beschreibung}
+\begin{beispiel}
+ \ch[decimal-marker={,}]{3.5} \ch[decimal-marker={$\cdot$}]{3,5}
+\end{beispiel}
+
+L'opzione \key{frac-style}{xfrac} utilizza il comando \lstinline+\sfrac+ del pacchetto \paket{xfrac}. L'output può dipendere fortemente dal carattere impiegato.\secidx[xfrac]{Fattori stechiometrici}
+\begin{beispiel}
+ \ch[frac-style=xfrac]{3/2} \ch[frac-style=xfrac]{1_1/2}
+\end{beispiel}
+
+\chemformula definisce l'istanza \lstinline=formula-text-frac=, che può essere adattata alle proprie necessità. Le impostazioni di default sono elencate di seguito:
+\begin{beispiel}[code only]
+ \DeclareInstance{xfrac}{chemformula-text-frac}{text}
+ {
+ slash-left-kern = -.15em ,
+ slash-right-kern = -.15em
+ }
+\end{beispiel}
+Questo documento impiega il Font \textsc{Linux Libertine O} e la definizione seguente:
+\begin{beispiel}[code only]
+ \DeclareInstance{xfrac}{chemformula-text-frac}{text}
+ {
+ scale-factor = 1 ,
+ denominator-bot-sep = -.2ex ,
+ denominator-format = \scriptsize #1 ,
+ numerator-top-sep = -.2ex ,
+ numerator-format = \scriptsize #1
+ }
+\end{beispiel}
+
+L'opzione \key{frac-style}{nicefrac} utilizza il comando \lstinline+\nicefrac+ del pacchetto \paket{nicefrac}.\secidx[nicefrac]{Fattori stechiometrici}
+\begin{beispiel}
+ \ch[frac-style=nicefrac]{3/2} \ch[frac-style=nicefrac]{1_1/2}
+\end{beispiel}
+
+L'opzione \key{stoich-space} permette di adattare la larghezza dello spazio tra fattore stechiometrico e formula bruta.\secidx[space]{Fattori stechiometrici}
+\begin{beispiel}
+ \ch{2 H2O} \\
+ \ch[stoich-space=.3em]{2 H2O}
+\end{beispiel}
+\secidx*{Fattori stechiometrici}
+
+\section{Formule brute}\label{ssec:compounds}\secidx{Formule brute}
+\chemformula considera le formule brute come il tipo \enquote{che non rientra negli altri}. Questo diverrà più chiaro in seguito quando saranno elencati gli altri tipi.
+\begin{beispiel}
+ \ch{H2SO4} \\
+ \ch{[Cu(NH3)4]^2+}
+\end{beispiel}
+
+\subsection{Addotti}\secidx[Addotti]{Formule brute}
+\chemformula possiede due identificatori che creano addotti.
+\begin{beschreibung}
+ \befehl{ch}{A.B} \ch{A.B}
+ \befehl{ch}{A*B} \ch{A*B}
+\end{beschreibung}
+\begin{beispiel}
+ \ch{CaSO4.H2O} \\
+ \ch{CaSO4*H2O}
+\end{beispiel}
+Dato che le cifre in una formula bruta vengono considerate sempre come pedici (vedi il paragrafo \ref{ssec:subscripts}), talvolta è necessario lasciare uno spazio in modo che il numero venga riconosciuto come fattore stechiometrico:
+\begin{beispiel}
+ \ch{Na3PO4*12H2O} \\
+ \ch{Na3PO4* 12 H2O} \\
+ \ch{Na3PO4 * 12 H2O}
+\end{beispiel}
+
+\subsection{Pedici}\label{ssec:subscripts}\secidx[Pedici]{Formle brute}
+\emph{Tutte} le cifre in una sostanza vengono considerate come pedici.
+\begin{beispiel}
+ \ch{H2SO4}
+\end{beispiel}
+Quando si desidera utilizzare un carattere come pedice, va utilizzata la sintassi matematica:
+\begin{beispiel}
+ \ch{A_nB_m}
+\end{beispiel}
+
+Il pedice riconosce i gruppi, all'interno dei quali è anche possibile usare il modo matematico.
+\begin{beispiel}
+ \ch{A_{$n$}B_{$m$}} \\
+ \ch{NaCl_{(aq)}}
+\end{beispiel}
+
+\subsection{Comandi}\secidx[Comandi]{Formule brute}
+All'interno di una formula bruta sono permessi i comandi:
+\begin{beispiel}
+ \ch{\textbf{A2}B3} \ch{A2\color{red}B3}
+\end{beispiel}
+Quando però un comando richiede come argomento un numero, ad esempio comandi regolanti la spaziatura oppure il comando \lstinline+\ox+, l'utilizzo diretto fallirà. Questo deriva dal fatto che le cifre verranno riconosciute come pedice \emph{prima} dell'espansione del comando.
+\begin{beispiel}[code only]
+ \ch{A\hspace{2mm}B} darà un errore, dato che \hspace vedrà qualcosa del genere: \hspace{$_2$mm}.
+\end{beispiel}
+Vedi il paragrafo \ref{ssec:text} per una via d'uscita.
+
+\subsection{Cariche ed altri apici}\secidx[Cariche]{Formule brute}\secidx[Apici]{Formule brute}
+\paragraph{Basi}
+Quando una formula bruta \emph{finisce} con un segno più o meno questo verrà interpretato come un simbolo di carica e messo ad apice. In altri punti un più rappresenta un legame triplo ed un trattino un legame singolo, vedi il paragrafo \ref{ssec:bonds}.
+\begin{beispiel}
+ \ch{A+B} \ch{AB+} \\
+ \ch{A-B} \ch{AB-}
+\end{beispiel}
+
+Per gruppi di carica più lunghi oppure altri apici è possibile utilizzare la sintassi matematica. Questa riconosce i gruppi e permette la matematica al loro interno. All'interno di questi gruppi né il simbolo \code{+} né \code{-} vengono interpretati come legami. Quando ad apice si trova un punto \code{.} non indica un addotto bensì un radicale. Un asterisco \code{*} indica uno stato eccitato.
+\begin{beispiel}
+ \ch{A^{x-}} \\
+ \ch{A^x-} \\
+ \ch{A^{x}-} \\
+ \ch{A^{$x-$}} \\
+ \ch{RNO2^{-.}} \\
+ \ch{^31H} \\
+ \ch{^{14}6C} \\
+ \ch{^{58}_{26}Fe} \\
+ \ch{NO^*}
+\end{beispiel}
+
+Ioni e composti ionici con più di una carica vengono inseriti allo stesso modo:
+\begin{beispiel}
+ \ch{SO4^2-} \ch{Ca^2+ SO4^2-}
+\end{beispiel}
+
+\paragraph{Comandi ionici}\secidx[Apici!Comandi di carica]{Formule brute}
+Non sono necessari comandi del tipo di \cmd{mch} all'interno di \cmd{ch}. Difatti \emph{sarebbe opportuno evitarli}, dato che possono scombinare l'orientamento degli apici e dei pedici. L'opzione \code{circled} di \chemmacros viene rispettata da \cmd{ch}.
+\begin{beispiel}
+ \chemsetup[option]{circled=all}
+ \ch{H+ + OH- <=> H2O}
+\end{beispiel}
+
+\paragraph{Comportamento}\secidx[Apici!Comportamento]{Formule brute}
+Gli apici si comportano diversamente in base alla loro posizione in una formula bruta, nel caso apice e pedice siano direttamente consecutivi.
+\begin{beispiel}
+ \ch{^33B} \ch{{}^33B} \ch{3^3B} \ch{B^3} \ch{B3^3} \\
+ \ch{^{23}_{123}B} \ch{{}^{23}_{123}B} \ch{_{123}^{23}B} \ch{B^{23}} \ch{B_{123}^{23}} \\
+ \ch{^{123}_{23}B} \ch{{}^{123}_{23}B} \ch{_{23}^{123}B} \ch{B^{123}} \ch{B23^{123}}
+\end{beispiel}
+\begin{itemize}
+ \item Quando una formula \emph{inizia} con un apice, gli apici e i pedici vengono orientati a \emph{destra}, altrimenti a \emph{sinistra}.
+ \item Quando un apice \emph{segue} un pedice, questo verrà ulteriormente spostato di una lunghezza che viene determinata dall'opzione \key{charge-hshift}{<dim>}, vedi anche a pagina \pageref{desc:charge-hshift}s.
+\end{itemize}
+
+Il secondo punto segue l'indicazione \IUPAC:
+\begin{zitat}[{\IUPAC Green Book \cite[][p.\,51]{iupac:greenbook}}]
+ In writing the formula for a complex ion, spacing for charge number can be added (staggered arrangement), as well as parentheses: \ch[charge-hshift=1ex]{SO4^2-}, \ch{(SO4)^2-} The staggered arrangement is now recommended.
+\end{zitat}
+
+\subsection{Legami}\label{ssec:bonds}\secidx[Legami]{Formule brute}
+\chemformula conosce tre tipi di legami:
+\begin{beispiel}
+ einfach: \ch{CH3-CH3} \\
+ doppel: \ch{CH2=CH2} \\
+ dreifach: \ch{CH+CH}
+\end{beispiel}
+
+\subsection{Personalizzazione}\secidx[Personalizzazione]{Formule brute}
+Queste opzioni permettono di adattare l'output:
+\begin{beschreibung}
+ \option{subscript-vshift}{<dim>} Ulteriore spostamento verticale dei pedici. Default = \code{0pt}
+ \option{subscript-style}{text/math} Stile usato per i pedici. Default = \code{text}
+ \option{charge-hshift}{<dim>} Spostamento degli apici seguenti un pedice. Default = \code{.5ex}\label{desc:charge-hshift}
+ \option{charge-style}{text/math} Stile usato per gli apici. Default = \code{text}
+ \option{adduct-space}{<dim>} Spazio vuoto ai lati del punto di addotto. Default = \code{.1333em}
+ \option{bond-length}{<dim>} Lunghezza dei legami. Come lunghezza di default viene impiegata la lunghezza di un tratto, come determinata con \lstinline+\settowidth{<len>}{\textendash}+.
+ \option{bond-offset}{<dim>} Distanza tra atomo e legame. Default = \code{0pt}
+\end{beschreibung}
+
+Forse l'utente si sarà accorto che per alcuni ioni le cariche sono spostate a destra:\secidx[Cariche!Spostamento]{Formule brute}
+\begin{beispiel}
+ \ch{SO4^2-} \ch{NH4+} \ch{Na+}
+\end{beispiel}
+Le cariche vengono spostate quando \emph{seguono} un pedice. La dimensione dello spostamento può essere impostata con l'opzione \key{charge-hshift}.
+\begin{beispiel}
+ \ch{SO4^2-} \ch{NH4+} \ch{Na+} \\
+ \chemsetup[chemformula]{charge-hshift=.5ex}
+ \ch{SO4^2-} \ch{NH4+} \ch{Na+} \\
+ \chemsetup[chemformula]{charge-hshift=.5pt}
+ \ch{SO4^2-} \ch{NH4+} \ch{Na+}
+\end{beispiel}
+
+Nonostante l'indicazione \IUPAC, \chemformula nell'impostazione predefinita non genera apici completamente spostati, che a mio parere in alcuni casi sono di difficile lettura ed in altri casi di aspetto sgradevole. Essendo questa una percezione soggettiva, \chemformula offre sia la possibilità di impostare un valore assoluto per lo spostamento che di spostare completamente l'apice. A questo proposito va impiegato \key{charge-hshift}{full}.
+\begin{beispiel}
+ \ch[charge-hshift=0pt]{C5H11+} \ch[charge-hshift=0pt]{SO4^2-} \\
+ \ch{C5H11+} \ch{SO4^2-} \\
+ \ch[charge-hshift=1ex]{C5H11+} \ch[charge-hshift=1ex]{SO4^2-} \\
+ \ch[charge-hshift=full]{C5H11+} \ch[charge-hshift=full]{SO4^2-}
+\end{beispiel}
+
+Se non si desidera riprodurre le cariche in modo testuale, è possibile passare al modo matematico:
+\begin{beispiel}
+ \ch{M^x+} \ch{SO4^2-} \\
+ \chemsetup[chemformula]{charge-style = math}
+ \ch{M^x+} \ch{SO4^2-}
+\end{beispiel}
+
+L'opzione \key{subscript-vshift} può essere impiegata per adattare lo spostamento verticale dei pedici.\secidx[Pedici!Spostamento]{Formule brute}
+\begin{beispiel}
+ \ch{H2SO4} \ch{Na3PO4} \\
+ \chemsetup[chemformula]{subscript-vshift=.5ex}
+ \ch{H2SO4} \ch{Na3PO4} \\
+ \chemsetup[chemformula]{subscript-vshift=-.2ex}
+ \ch{H2SO4} \ch{Na3PO4}
+\end{beispiel}
+
+Si può inolte selezionare in quale modo verranno composti i pedici:
+\begin{beispiel}
+ \ch{A_nB_m} \ch{H2SO4} \\
+ \chemsetup[chemformula]{subscript-style = math}
+ \ch{A_nB_m} \ch{H2SO4}
+\end{beispiel}
+
+Con l'opzione \key{adduct-space} è possibile adattare lo spazio a sinistra e destra del segno di addotto.
+\begin{beispiel}
+ \ch{Na3PO3*H2O} \\
+ \chemsetup[chemformula]{adduct-space=.2em}
+ \ch{Na3PO3*H2O}
+\end{beispiel}
+
+La lunghezza dei legami va variata con:\secidx[Legami!Lunghezza]{Formule brute}
+\begin{beispiel}
+ \chemsetup[chemformula]{bond-length=4mm}%
+ single: \ch{CH3-CH3} \\
+ double: \ch{CH2=CH2} \\
+ triple: \ch{CH+CH}
+\end{beispiel}
+
+Si può inoltre impostare la distanza tra atomo e legame:
+\begin{beispiel}
+ \ch{H-H + N+N + O=O} \\
+ \ch[bond-offset=1pt]{H-H + N+N + O=O}
+\end{beispiel}
+\secidx*{Formule brute}
+
+\section{Tipi speciali di input}\secidx{Tipi speciali di input}
+Vi sono alcuni \enquote{tipi particolari di input}.
+
+\subsection{Token a input singolo}\secidx[Token a input singolo]{Tipi speciali di input}
+Il primo tipo è composto da un singolo token tra i seguenti:
+\begin{beschreibung}
+ \befehl{ch}{ + } \ch{+} Genera un segno più tra formule se spaziato a destra e sinistra:\\
+ \cmd{ch}{2 Na + Cl2} \ch{2 Na + Cl2}
+ \befehl{ch}{ v } \ch{v} Simbolo per una precitazione o la formazione di un solido: \cmd{ch}{BaSO4 v} \ch{BaSO4 v}
+ \befehl{ch}{ \lstinline+^+ } \ch{^} Simbolo per la formazione di gas: \cmd{ch}{\lstinline=H2 ^=} \ch{H2 ^}
+\end{beschreibung}
+
+Lo spazio a sinistra e destra del più può essere adattato tramite un'opzione:
+\begin{beschreibung}
+ \option{plus-space}{<dim>} Una lunghezza di \TeX. Default = \lstinline+.3em+
+\end{beschreibung}
+\begin{beispiel}
+ \ch{A + B}\\
+ \ch[plus-space=4pt]{A + B}
+\end{beispiel}
+
+\subsection{Input di opzioni}\secidx[Input di opzioni]{Tipi di input speciali}
+Talvolta si desidera applicare un'opzione solo ad una parte di una reazione. Naturalmente è possibile impiegare ripetutamente \cmd{ch}.
+\begin{beispiel}
+ \ch{H2O +}\textcolor{red}{\ch{H2SO4}}\ch{-> H3O+ + HSO4-} \\
+ \ch{H2O +}\ch[subscript-vshift=2pt]{H2SO4}\ch{-> H3O+ + HSO4-}
+\end{beispiel}
+Tuttavia questo interrompe l'input nel sorgente e \emph{potrebbe} influenzare le distanze. Per questo motivo esiste un'alternativa:
+\begin{beschreibung}\makeatletter
+ \befehl{ch}{ @\{<options>\} } Le opzioni date sono attive \emph{solo} fino alla fine della \emph{prossima} formula bruta.
+\end{beschreibung}
+\begin{beispiel}
+ \ch{H2O +}\textcolor{red}{\ch{H2SO4}}\ch{-> H3O+ + HSO4-} \\
+ \ch{H2O + @{format=\color{red}} H2SO4 -> H3O+ + HSO4-} \\
+ o naturalmente:\\
+ \ch{H2O + \textcolor{red}{H2SO4} -> H3O+ + HSO4-}\\[1em]
+ \ch{H2O +}\ch[subscript-vshift=2pt]{H2SO4}\ch{-> H3O+ + HSO4-} \\
+ \ch{H2O + @{subscript-vshift=2pt} H2SO4 -> H3O+ + HSO4-}
+\end{beispiel}
+\achtung{Si tratta di una feature sperimentale che potrà scomparire nelle versioni future.}
+\secidx*{Tipi di input speciali}
+
+\section{Input protetto}\secidx{Input protettto}
+In certi casi si può desiderare di evitare che \chemformula elabori l'input. Esistono due possibilità di ottenere proprio questo.
+
+\subsection{Testo}\label{ssec:text}\secidx[text]{Input protetto}
+Quando del testo viene posto tra \lstinline+" "+ oppure \lstinline+' '+, allora l'input viene considerato come testo normale, ad eccezione per gli spazi che non sono ammessi e devono essere dati con \lstinline+~+.
+\begin{beschreibung}
+ \Befehl{ch}{ "<escaped text>" }
+ \Befehl{ch}{ '<escaped text>' }
+\end{beschreibung}
+\begin{beispiel}
+ \ch{"\ox{2,Ca}" O} \\
+ \ch{"\ldots\," Na + "\ldots\," Cl2 -> "\ldots\," NaCl} \\
+ \ch{'A~->~B'}
+\end{beispiel}
+In molti casi non sarà necessario. Ma quando risulta difficile impiegare un comando all'interno di \cmd{ch}, può essere utile applicare il metodo di protezione.
+
+\subsection{Matematica}\secidx[math]{Input protetto}
+Quando si ha dell'input matematico, è sufficiente porlo tra \lstinline+$ $+. L'output si distingue dal testo protetto oltre che per il modo matematico anche per la presenza di uno spazio in seguito.
+\begin{beschreibung}\catcode`\$=11
+ \Befehl{ch}{ $<escaped math>$ }
+\end{beschreibung}
+\begin{beispiel}
+ escaped text: \ch{"$x$" H2O} \\
+ escaped math: \ch{$x$ H2O} \\
+ \ch{$2n$ Na + $n$ Cl2 -> $2n$ NaCl}
+\end{beispiel}
+
+Lo spazio seguente l'input matematico protetto può essere adattato.
+\begin{beschreibung}
+ \item \key{math-space}{<dim>} Una lunghezza di \TeX. Default = \code{.1667em}
+\end{beschreibung}
+\begin{beispiel}
+ \ch{$2n$ Na + $n$ Cl2 -> $2n$ NaCl} \\
+ \chemsetup[chemformula]{math-space=.25em}
+ \ch{$2n$ Na + $n$ Cl2 -> $2n$ NaCl} \\
+ \ch{$A->B$}
+\end{beispiel}
+\secidx*{Input protetto}
+
+\section{Frecce}\label{sec:arrows}\secidx{Frecce}
+\subsection{Tipi di frecce}\secidx[Tipi]{Frecce}
+Le frecce vengono indicate con lo stesso modo intuitivo di \paket{mhchem}. Ne esiste una serie:
+\begin{beschreibung}
+ \befehl{ch}{ -> } \ch{->} freccia comune a destra
+ \befehl{ch}{ <- } \ch{<-} freccia comune a sinistra
+ \befehl{ch}{ -/> } \ch{-/>} non reagisce (destra)
+ \befehl{ch}{ </- } \ch{</-} non reagisce (sinistra)
+ \befehl{ch}{ <-> } \ch{<->} freccia di mesomeria
+ \befehl{ch}{ <> } \ch{<>} la reazione avviene in entrambe le direzioni
+ \befehl{ch}{ == } \ch{==} equazione stechiometrica
+ \befehl{ch}{ <=> } \ch{<=>} freccia di equilibrio
+ \befehl{ch}{ \lstinline+<=>>+ } \ch{<=>>} equilibrio spostato a destra
+ \befehl{ch}{ \lstinline+<<=>+ } \ch{<<=>} equilibrio spostato a sinistra
+ \befehl{ch}{ <o> } \ch{<o>} freccia isolobale
+\end{beschreibung}
+Tutte le frecce sono disegnate con \TikZ.
+\begin{beispiel}
+ \ch{H2 + Cl2 -> 2 HCl} \\
+ \ch{H2O + CO3^2- <=> OH- + HCO3-} \\
+ \ch{A <- B} \\
+ \ch{\{[CH2=CH-CH2]- <-> [CH2-CH=CH2]- \}} \\
+ \ch{A <> B} \\
+ \ch{H+ + OH- <=>> H2O} \\
+ \ch{2 NO2 <<=> N2O4}
+\end{beispiel}
+
+\subsection{Etichettazione}\secidx[Etichettazione]{Frecce}
+Le frecce hanno due argomenti opzionali per essere etichettate.
+\begin{beschreibung}
+ \Befehl{ch}{ ->[<above>][<below>] }
+\end{beschreibung}
+\begin{beispiel}
+ \ch{A ->[a] B} \\
+ \ch{A ->[a][b] B} \\
+ \ch{A ->[\SI{100}{\celsius}] B}
+\end{beispiel}
+Il testo descrittivo può essere elaborato indipendentemente dalla freccia: basta usare degli spazi.
+\begin{beispiel}
+ \ch{A ->[H2O] B} \\
+ \ch{A ->[ H2O ] B} \\
+ \ch{A ->[ "\ox{2,Ca}" F2 ] B} \\
+ \ch{A ->[$\Delta$,~ \[H+ \]] B}
+\end{beispiel}
+
+Quando sono presenti gli spazi \chemformula elabora dapprima la parte tra parentesi come un input normale. Le frecce leggono i loro argomenti solo \emph{dopo} l'elaborazione. Come si può vedere, le frecce \enquote{crescono} con la lunghezza dell'etichetta, mentre rimane costante la parte eccedente. Nell'ultimo esempio si può inoltre vedere che le parentesi quadre all'interno degli argomenti dei comandi freccia devono essere inserite con \cmd{[} e \cmd{]}; naturalmente al di fuori di \cmd{ch} mantengono il loro comportamento normale. Questi comandi sono necessari perché il metodo solitamente impiegato di racchiudere le parentesi quadre tra parentesi graffe non funziona a causa del metodo in cui \cmd{ch} legge il suo argomento.
+\begin{beispiel}
+ \ch{A ->[a] B} \\
+ \ch{A ->[ab] B} \\
+ \ch{A ->[abc] B} \\
+ \ch{A ->[abc~abc] B} \\
+ % needs the `chemfig' package:
+ \setatomsep{15pt}
+ \ch{A ->[ "\chemfig{-[:30]-[:-30]OH}" ] B} \\
+ \ch{A ->[[]] B} vs. \ch{A ->[\[\]] B}
+\end{beispiel}
+
+\subsection{Adattamento}\secidx[Adattamento]{Frecce}
+Con le opzioni seguenti è possibile adattare la resa grafica delle frecce:
+\begin{beschreibung}
+ \option{arrow-offset}{<dim>} La lunghezza della freccia eccedente l'etichetta (a sinistra e destra). La lunghezza di una freccia vuota è il doppio di \code{arrow-offset}. Una lunghezza di \TeX. Default = \code{1.5ex}
+ \option{arrow-yshift}{<dim>} Sposta una freccia verso l'alto (valore positivo) o verso il basso (valore negativo). Una lunghezza di \TeX. Default = \code{0pt}
+ \option{arrow-ratio}{<factor>} Il rapporto delle lunghezze della frecce di equilibrio spostato. \code{.4} significa che la freccia più corta è lunga \num{0.4} volte la freccia più lunga. Default = \code{.6}
+ \option{compound-sep}{<dim>} Lo spazio vuoto tra formule e frecce. Una lunghezza di \TeX. Default = \code{1ex}
+ \option{label-offset}{<dim>} Lo spazio tra le frecce e la loro etichetta. Una lunghezza di \TeX. Default = \code{2pt}
+ \option{label-style}{<font command>} La dimensione relativa di carattere dell'etichetta. Default = \lstinline+\footnotesize+
+\end{beschreibung}
+
+Il codice seguente mostra gli effetti delle varie opzioni sulla freccia \lstinline+<=>>+:
+\begin{beispiel}
+ standard: \ch{A <=>>[x][y] B} \\
+ più lunga: \ch[arrow-offset=12pt]{A <=>>[x][y] B} \\
+ più alta: \ch[arrow-yshift=2pt]{A <=>>[x][y] B} \\
+ più bilanciata: \ch[arrow-ratio=.8]{A <=>>[x][y] B} \\
+ etichetta più distante: \ch[label-offset=4pt]{A <=>>[x][y] B} \\
+ distanza maggiore dalle formule: \ch[compound-sep=2ex]{A <=>>[x][y] B} \\
+ etichette più piccole: \ch[label-style=\tiny]{A <=>[x][y] B}
+\end{beispiel}
+
+\subsection{Adattare i tipi di frecce}\label{sec:arrows_modify}\secidx[tipi!adattare]{Frecce}
+Le frecce sono definite attraverso il comando
+\begin{beschreibung}
+ \Befehl{DeclareChemArrow}{<tokens>}\ma{<tikz>}
+\end{beschreibung}
+\ma{<tokens>} sono i simboli sostituiti dal codice proprio della freccia. Ad esempio, la freccia principale è stata definita attraverso
+\begin{beispiel}[code only]
+ \DeclareChemArrow{->}{\draw[-cf] (cf_arrow_start) -- (cf_arrow_end) ;}
+\end{beispiel}
+Nel caso si desideri definire proprie frecce, è necessario avere delle conoscenze fondamentali di \TikZ\footnote{Si rimanda alla guida \textsf{pgfmanual}.}.
+
+Esistono delle coordinate predefinite di cui si consiglia l'uso:
+\begin{description}
+ \item[\code{(cf\_arrow\_start)}] L'inizio della freccia.
+ \item[\code{(cf\_arrow\_end)}] La fine della freccia.
+ \item[\code{(cf\_arrow\_mid)}] La metà della freccia.
+ \item[\code{(cf\_arrow\_mid\_start)}] L'inizio della freccia più breve nelle freccie del tipo \lstinline+<=>>+.
+ \item[\code{(cf\_arrow\_mid\_end)}] La fine della freccia più breve nelle freccie del tipo \lstinline+<=>>+.
+ \item[\code{cf}, \code{left cf}, \code{right cf}] Punte di frecce definite per \chemformula.
+\end{description}
+\begin{beispiel}
+ \DeclareChemArrow{.>}{\draw[-cf,dotted,red] (cf_arrow_start) -- (cf_arrow_end);}
+ \DeclareChemArrow{n>}{\draw[-cf] (cf_arrow_start) .. controls ([yshift=3ex]cf_arrow_mid) .. (cf_arrow_end);}
+ \ch{A .> B} \ch{A .>[a][b] B} \ch{A n> B}
+\end{beispiel}
+Quando si desidera ridefinire una freccia preesistente, è possibile usare uno dei due comandi seguenti:
+\begin{beschreibung}
+ \Befehl{RenewChemArrow}{<tokens>}\ma{<tikz>}
+ \Befehl{ShowChemArrow}{<tokens>}
+\end{beschreibung}
+Il secondo mostra la definizione esistente, il primo ridefinisce la freccia.
+\begin{beispiel}
+ \texttt{\ShowChemArrow{->}} \\
+ \RenewChemArrow{->}{\draw[->,red] (cf_arrow_start) -- (cf_arrow_end) ;}
+ \texttt{\ShowChemArrow{->}} \\
+ \ch{A -> B}
+\end{beispiel}
+\secidx*{Frecce}
+
+\section{Didascalie di formule}\secidx{Didascalie di formule}
+\subsection{Sintassi}\secidx[sintassi]{Didascalie di formule}
+\chemformula ha una propria sintassi per scrivere del testo sotto ad una formula chimica; questa funziona in modo analogo agli argomenti opzionali delle frecce.
+\begin{beschreibung}
+ \Befehl{ch}{ !(<name>)( <formula> ) }
+\end{beschreibung}
+Quando un punto esclamativo viene seguito da una coppia di parentesi tonde, \chemformula fa il seguente:
+\begin{beispiel}
+ \ch{!(ethanol)( CH2CH2OH )}
+\end{beispiel}
+
+Quel che vale per le descrizioni di frecce vale anche qui: lasciando degli spazi le parti di input vengono elaborate a seconda del loro tipo, prima che la formula venga scritta sotto il testo.
+\begin{beispiel}
+ \ch{!(water)(H2O)} \quad
+ \ch{!( "\textcolor{blue}{water}" )( H2O )} \quad
+ \ch{!( $2n-1$ )( H2O )} \quad
+ \ch{!( H2O )( H2O )} \quad
+ \ch{!(oxonium)( H3O+ )}
+\end{beispiel}
+
+Se per qualche ragione si desidera avere un punto esclamativo \emph{senza} inserire un testo sotto una formula, bisogna solamente evitare di farlo seguire da parentesi.
+\begin{beispiel}
+ \ch{H2O~(!)} \\
+ \ch{A!{}()}
+\end{beispiel}
+
+\subsection{Personalizzazione}\secidx[Personalizzazione]{Didascalie di formule}
+\chemformula mette a disposizione due opzioni per adattare il testo:
+\begin{beschreibung}
+ \option{name-format}{<commands>} Il formato del testo. Può essere un input qualunque. Default = \lstinline+\scriptsize\centering+
+ \option{name-width}{<dim>/auto} La larghezza del box nel quale viene posto il testo. \code{auto} riconosce la larghezza della didascalia e imposta il box di conseguenza. Default = \code{auto}
+\end{beschreibung}
+\begin{beispiel}
+ \ch{!(acido)( H2SO4 ) -> B} \\
+ \ch[name-format=\sffamily\small]{!(acido)( H2SO4 ) -> B} \\
+ \ch[name-format=\scriptsize N:~]{!(acido)( H2SO4 ) -> B} \\
+ \ch[name-width=3em,name-format=\scriptsize\raggedright]{!(acido)( H2SO4 ) -> B}
+\end{beispiel}
+\secidx*{Didascalie di formule}
+
+\section{Formato e carattere}\label{sec:format}\secidx{Formato e carattere}
+Come impostazione predefinita \chemformula non varia l'output delle formule. Prendiamo come esempio un input privo di senso chimico per dimostrare tutte le capacità di \chemformula:
+\begin{beispiel}
+ \newcommand*\sample{\ch{H2C-C+C-CH=CH+ + CrO4^2- <=>[x][y] 2.5 Cl^{-.} + 3_1/2 Na*OH_{(aq)} + !(name)( A^n ) "\LaTeXe"}}
+ \sample
+\end{beispiel}
+\newcommand*\sample{\ch{H2C-C+C-CH=CH+ + CrO4^2- <=>[x][y] 2.5 Cl^{-.} + 3_1/2 Na*OH_{(aq)} + !(name)( A^n ) "\LaTeXe"}}
+Ora variamo alcuni aspetti del testo e vediamo cosa succede:
+\begin{beispiel}[below]
+ \sffamily Ciao \sample \\
+ \ttfamily Ciao \sample \normalfont \\
+ \bfseries Ciao \sample \normalfont \\
+ \itshape Ciao \sample
+\end{beispiel}
+Come si può vedere la maggior parte delle funzioni adattano le caratteristiche del font circostante.
+
+Quando si vuole cambiare questo comportamento preimpostato oppure il formato di default è possibile usare la seguente opzione:
+\begin{beschreibung}
+ \option{format}{<anything>} Inserisce il codice desiderato all'inizio del comando \cmd{ch}.
+\end{beschreibung}
+\begin{beispiel}
+ % blu e privo di grazie:
+ \definecolor{newblue}{rgb}{.1,.1,.5}\chemsetup[chemformula]{format=\color{newblue}\sffamily}
+ \sffamily Ciao \sample \\
+ \ttfamily Ciao \sample \normalfont \\
+ \bfseries Ciao \sample \normalfont \\
+ \itshape Ciao \sample
+\end{beispiel}
+
+Inoltre si possono variare specificatamente la famiglia, la serie e la forma dell'output:
+\begin{beschreibung}
+ \option{font-family}{<family>} Varia la famiglia di font dell'output con: \lstinline+\fontfamily{<family>}\selectfont+.
+ \option{font-series}{<series>} Varia la serie di font dell'output con: \lstinline+\fontseries{<series>}\selectfont+.
+ \option{font-shape}{<shape>} Varia la forma di font dell'output con \lstinline+\fontshape{<shape>}\selectfont+.
+\end{beschreibung}
+\begin{beispiel}
+ % immer fett:
+ \chemsetup[chemformula]{font-series=bx}
+ Ciao \sample \\
+ \sffamily Ciao \sample \normalfont \\
+ \chemsetup[chemformula]{font-family=lmr,font-series=m} Ciao \sample \normalfont \\
+ \itshape Ciao \sample
+\end{beispiel}
+
+Quando si impiegano \XeLaTeX\ oppure \LuaLaTeX\ avendo caricato il pacchetto \paket{fontspec}, è possibile variare il carattere di \chemformula anche in questo modo:
+\begin{beschreibung}
+ \Option{font-spec}{\{<font>\}} oppure con opzioni
+ \Option{font-spec}{\{[<options>]<font>\}}
+\end{beschreibung}
+\begin{beispiel}
+ \chemsetup[chemformula]{font-spec={Linux Biolinum O}} \sample \\
+ \chemsetup[chemformula]{font-spec={[Color=darkgray]Augie}} \sample \\
+ \chemsetup[chemformula]{font-spec={Tipbrush Script}} \sample \\
+ \chemsetup[chemformula]{font-spec={Latin Modern Sans}} \sample \\
+ \bfseries \sample \normalfont \\
+ \chemsetup[chemformula]{font-spec={Feathergraphy Decoration}} \sample
+\end{beispiel}
+\secidx*{Formato e carattere}
+
+\section{Utilizzo in ambienti matematici}\secidx{Ambienti matematici}
+Il comando \cmd{ch} può essere utilizzato in ambienti matematici. Riconosce \lstinline+\\+ e \lstinline+&+ e ne passa oltre i contenuti. Tuttavia gli argomenti opzionali di \lstinline+\\+ non possono essere utilizzati all'interno di \cmd{ch}.
+\begin{beispiel}
+ \begin{align}
+ \ch{
+ H2O & ->[a] H2SO4 \\
+ Cl2 & ->[x][y] CH4
+ }
+ \end{align}
+ \begin{align*}
+ \ch{
+ RNO2 &<=>[ + e- ] RNO2^{-.} \\
+ RNO2^{-.} &<=>[ + e- ] RNO2^2-
+ }
+ \end{align*}
+\end{beispiel}
+\secidx*{Ambienti matematici}
+
+\section{Ulteriori esempi}
+Questo paragrafo mostra ulteriori esempi per l'impiego di \chemformula, ed in particolare l'accoppiamento agli ambienti \code{reaction} di \chemmacros.
+
+\begin{beispiel}
+ \begin{reaction}[Sintesi di alcani]
+ !(gas~di~sintesi)( $n$ CO + $(2n+1)$ H2 ) ->[\SI{200}{\celsius}][\[CoNi\]] C_{$n$}H_{$2n+2$} + $n$ H2O
+ \end{reaction}
+\end{beispiel}
+
+\begin{beispiel}
+ \begin{reactions*}
+ "a)" && CH4 + Cl2 &-> CH3Cl + HCl && "{\small Clorometano/cloruro~di~metile}" \\
+ "b)" && CH3Cl + Cl2 &-> CH2Cl2 + HCl && "{\small diclorometano/cloruro~di~metilene}" \\
+ "c)" && CH2Cl2 + Cl2 &-> CHCl3 + HCl && "{\small triclorometano/cloroformio}" \\
+ "d)" && CHCl3 + Cl2 &-> CCl4 + HCl && "{\small tetraclorometano/tetracloruro~di~carbonio}"
+ \end{reactions*}
+\end{beispiel}
+
+\begin{beispiel}
+ \chemsetup[ox]{parse=false}\ch{"\ox{\delm,C}" -{} "\ox{\delp,M}" \qquad ( <-> "\ox{\delp,C}" -{} "\ox{\delm,Br}" )} \\
+ \ch[adduct-space=0pt]{X. + .Y <=> X-Y + energia~di~legame} \\
+ \ch[name-format=\normalsize]{!(\State{H}{f}\qquad)() !(\textcolor{red}{??})( CH4\gas{} ) + !(\num{0})( 2 O2\gas{} ) -> !(\num{-94.3})( CO2\gas{} ) + !(\num{-57.9})( H2O\lqd{} ) + !(\num{-192.1})( "\State{H}" )}
+\end{beispiel}
+
+\begin{beispiel}
+ \begin{reactions*}
+ CH3MgBr + "\ox*{1,Cu}" X &-> "\glqq" CH3 "\ox*{1,Cu}\grqq" + MgBrX "\qquad X~$=$~Br,I,CN" \\
+ 2 MeLi + CuI &-> !(dimetilcuprato~(cuprato~di~Gilmann))( Me2CuLi ) + Li
+ \end{reactions*}
+\end{beispiel}
+
+\begin{beispiel}
+ % needs `chemfig'
+ \begin{reactions*}
+ H3C-CH3 + Cl2 &->[$\Delta$][$h\nu$] H3CCH2Cl + HCl & &"\Enthalpy{-27.1}" \\
+ H3C-CH3 + "\Lewis{0.,Cl}" &-> H3CCH2 "\Lewis{0.,\vphantom{H}}" + HCl & &"\Enthalpy{-5.0}" \\
+ H3C-CH2 "\Lewis{0.,\vphantom{H}}" + Cl2 &-> H3CCH2Cl + "\Lewis{0.,Cl}" & &"\Enthalpy{-23.0}"
+ \end{reactions*}
+\end{beispiel}
+
+L'esempio seguente mostra come si può eseguire la semplificazione di reazioni\footnote{Ispirato da una domanda su TeX.SE: \url{http://tex.stackexchange.com/q/30118/5049}}.
+\begin{beispiel}
+ % needs `cancel'
+ \begin{align*}
+ \centering
+ \ch{\cancel{HCOOH\aq} + H2O\lqd{} &<=> H3O^+\aq{} + \cancel{HCOO^-\aq}} \\
+ \ch{\cancel{HCOO^-\aq} + H2O\lqd{} &<=> \cancel{HCOOH\aq} + OH^-\aq}\\[-1ex]
+ \cline{1-2}
+ \ch{H2O\lqd{} + H2O\lqd{} &<=> H3O^+\aq{} + OH^-\aq}
+ \end{align*}
+\end{beispiel}
+\secidx*{CHEMFORMULA}
+
+\part{\texorpdfstring{\Ghsystem}{ghsystem}}\label{part:ghsystem}\secidx{GHSYSTEM}
+\section{Setup}
+Tutte le opzioni di \ghsystem appartengono al modulo \textcolor{module}{\code{ghsystem}}. Possono essere impostate anche con
+\begin{beschreibung}
+ \Befehl{chemsetup}[ghsystem]{<options>} oppure
+ \Befehl{chemsetup}{ghsystem/<option1>,ghsystem/<option2>}
+\end{beschreibung}
+Inoltre possono essere passate anche localmente ai comandi come argomenti opzionali.
+
+\section{Richiamare le frasi di rischio (H) e sicurezza (P)}\secidx{Frasi di rischio e sicurezza}[Frasi di rischio e sicurezza]
+\subsection{Chiamata semplice}\secidx[Chiamata]{GHSYSTEM}
+È generalmente semplice richiamare le frasi:
+\begin{beschreibung}
+ \Befehl{ghs}[<options>]{<type>}\ma{<number>}
+ \Befehl[ghsa]{ghs*}[<options>]{<type>}\ma{<number>}
+\end{beschreibung}
+Esistono tre tipi di frasi: \code{h}, \code{euh} e \code{p}. L'argomento \ma{<type>} non distingue tra maiuscole e minuscole.
+\begin{beispiel}
+ \ghs{h}{200} \\
+ \ghs{H}{224} \\
+ \ghs{euh}{001} \\
+ \ghs{Euh}{202} \\
+ \ghs{p}{201}
+\end{beispiel}
+
+La versione asteriscata nasconde il numero e restituisce solo la frase. Quando si desidera nascondere la frase e richiamare solo il numero, è possibile utilizzare l'opzione seguente:
+\begin{beschreibung}
+ \Option{hide}{\default{true}/false}
+\end{beschreibung}
+
+Inoltre esiste un'opzione per adattare l'output.
+\begin{beschreibung}
+ \option{space}{<space command>} Spazio tra \code{<type>} e \code{<number>}.
+\end{beschreibung}
+\begin{beispiel}
+ \ghs{h}{200} \\
+ \ghs[space=\,]{h}{200} \\
+ \ghs*{h}{200} \\
+ \ghs[hide]{h}{200}
+\end{beispiel}
+
+\subsection{Frasi con segnaposto}\secidx[Segnaposto]{GHSYSTEM}
+Alcune frasi utilizzano dei segnaposto. Ve ne sono quattro tipi:
+\begin{itemize}
+ \item \textit{\textless indicare la via di esposizione se è accertato che nessun'altra via di esposizione comporta il medesimo pericolo\textgreater}
+ \item \textit{\textless indicare l'effetto specifico, se noto\textgreater}
+ \item \textit{\textless o indicare tutti gli organi interessati, se noti\textgreater}
+ \item \textit{\textless denominazione della sostanza sensibilizzante\textgreater}
+\end{itemize}
+
+Da predefinito sono nascosti tutti tranne l'ultimo, che deve essere sostituito. Possono essere resi visibili attraverso l'opzione
+\begin{beschreibung}
+ \option{fill-in}{\default{true}/false} Default = \code{false}
+\end{beschreibung}
+\begin{beispiel}[below]
+ \ghs{h}{340} \\
+ \ghs[fill-in]{h}{340} \\
+ \ghs{h}{360} \\
+ \ghs[fill-in]{h}{360} \\
+ \ghs{h}{370} \\
+ \ghs[fill-in]{h}{370} \\
+ \ghs{euh}{208} \\
+ \ghs[fill-in]{euh}{208}
+\end{beispiel}
+
+Con le opzioni seguenti è possibile sostituire i segnaposto:
+\begin{beschreibung}
+ \option{exposure}{<text>} segnaposto di esposizione
+ \option{effect}{<text>} segnaposto di effetto
+ \option{organs}{<text>} segnaposto di organo
+ \option{substance}{<text>} segnaposto di sostanza
+\end{beschreibung}
+\begin{beispiel}
+ \ghs[exposure=In questo modo si è esposti al pericolo.]{h}{340} \\
+ \ghs[effect=Questi sono gli effetti.]{h}{360} \\
+ \ghs[organs=quest'organo]{h}{370} \\
+ \ghs[substance=sostanza]{euh}{208}
+\end{beispiel}
+
+\subsection{Frasi con buchi}\secidx[Frasi con buchi]{GHSYSTEM}
+Alcune frasi hanno dei buchi:
+\begin{beispiel}
+ \ghs{p}{301} \\
+ \ghs{p}{401} \\
+ \ghs{p}{411} \\
+ \ghs{p}{413}
+\end{beispiel}
+
+Con le seguenti opzioni questi buchi possono essere riempiti:
+\begin{beschreibung}
+ \option{text}{<text>} Riempie il \enquote{buco invisibile} che segue un doppio punto.
+ \option{dots}{<text>} Riempie il buco indicato da \enquote{\ldots}.
+ \option{C-temperature}{<num>} Inserisce la temperatura in Celsius.
+ \option{F-temperature}{<num>} Inserisce la temperatura in Fahrenheit.
+ \option{kg-mass}{<num>} Inserisce massa in chilogrammi.
+ \option{lbs-mass}{<num>} Inserisce massa in libbre.
+\end{beschreibung}
+\begin{beispiel}
+ \ghs[dots=Contattare un medico!]{p}{301} \\
+ \ghs[text=qui]{p}{401} \\
+ \ghs[C-temperature=50, F-temperature=122]{p}{411} \\
+ \ghs[kg-mass=5.0, lbs-mass=11, C-temperature=50, F-temperature=122]{p}{413}
+\end{beispiel}
+
+\subsection{Frasi combinate}\secidx[Frasi combinate]{GHSYSTEM}
+Esistono alcune frasi combinate. Vengono inserite con un \code{+} tra i numeri:
+\begin{beispiel}[below]
+ \ghs{p}{235+410} \\
+ \ghs{p}{301+330+331}
+\end{beispiel}
+
+Si noti che sono valide solo le combinazioni ufficiali. \emph{Non è possibile combinare le frasi a piacere}.
+\secidx*{Frasi di rischio e sicurezza}
+
+\section{Pittogrammi}\secidx{Pittogrammi}
+\subsection{Le immagini}
+Il GHS contiene alcuni pittogrammi:
+
+\ghspic{explos} \ghspic{flame} \ghspic{flame-O} \ghspic{bottle} \ghspic{acid} \ghspic{skull} \ghspic{exclam} \ghspic{health} \ghspic{aqpol}
+
+Il comando
+\begin{beschreibung}
+ \Befehl{ghspic}[<options>]{<name>}
+\end{beschreibung}
+li carica. \ref{tab:ghs_pictograms} mostra tutti i pittogrammi e i nomi dei loro file, o meglio: mostra i nomi dei file da utilizzare con il comando \cmd{ghspic}. Di fatti i file si chiamano \lstinline=ghsystem_<name>.<filetype>=, dove \code{<filetype>} dev'essere un'estensione tra \code{eps}, \code{jpg} oppure \code{png}, vedi anche il paragrafo \ref{ssec:picture_type}.
+\begin{beispiel}
+ \ghspic{skull}
+\end{beispiel}
+
+Se si preferisce variare la dimensione, è disponibile l'opzione
+\begin{beschreibung}
+ \option{scale}{<factor>} Scala il pittogramma. Default = \code{1}
+\end{beschreibung}
+Le immagini originali sono piuttosto grandi. La preimpostazione (fattore = $1$) scala le immagini ad un ventesimo della loro dimensione reale.
+\begin{beispiel}
+ \ghspic[scale=2]{skull}
+\end{beispiel}
+
+Se si desidera utilizzare opzioni speciali di \lstinline=\includegraphics=, ad esempio per ruotare il pittogramma, va usata l'opzione seguente:
+\begin{beschreibung}
+ \Option{includegraphics}{\{<includegraphics keyvals>\}}
+\end{beschreibung}
+\begin{beispiel}
+ \ghspic[includegraphics={angle=90}]{skull}
+\end{beispiel}
+
+\begin{longtable}{>{\ttfamily}ll>{\ttfamily}ll}
+ \caption{Tutti i pittogrammi GHS disponibili.\label{tab:ghs_pictograms}} \\
+ \toprule
+ \normalfont\bfseries nome & \bfseries pittogramma & \normalfont\bfseries nome & \bfseries pittogramma \\
+ \midrule\endfirsthead
+ \toprule
+ \normalfont\bfseries nome & \bfseries pittogramma & \normalfont\bfseries nome & \bfseries pittogramma \\
+ \midrule\endhead
+ \bottomrule\endfoot
+ explos & \ghspic{explos} & explos-1 & \ghspic{explos-1} \\
+ explos-2 & \ghspic{explos-2} & explos-3 & \ghspic{explos-3} \\
+ explos-4 & \ghspic{explos-4} & explos-5 & \ghspic{explos-5} \\
+ explos-6 & \ghspic{explos-6} & & \\
+ flame & \ghspic{flame} & flame-2-white & \ghspic{flame-2-white} \\
+ flame-2-black & \ghspic{flame-2-black} & flame-3-white & \ghspic{flame-3-white} \\
+ flame-3-black & \ghspic{flame-3-black} & flame-4-1 & \ghspic{flame-4-1} \\
+ flame-4-2 & \ghspic{flame-4-2} & flame-4-3-white & \ghspic{flame-4-3-white} \\
+ flame-4-3-black & \ghspic{flame-4-3-black} & flame-5-2-white & \ghspic{flame-5-2-white} \\
+ flame-5-2-black & \ghspic{flame-5-2-black} & & \\
+ flame-O & \ghspic{flame-O} & flame-O-5-1 & \ghspic{flame-O-5-1} \\
+ bottle & \ghspic{bottle} & bottle-2-black & \ghspic{bottle-2-white} \\
+ bottle-2-white & \ghspic{bottle-2-black} & & \\
+ acid & \ghspic{acid} & acid-8 & \ghspic{acid-8} \\
+ skull & \ghspic{skull} & skull-2 & \ghspic{skull-2} \\
+ skull-6 & \ghspic{skull-6} & & \\
+ exclam & \ghspic{exclam} & & \\
+ health & \ghspic{health} & & \\
+ aqpol & \ghspic{aqpol} & & \\
+\end{longtable}
+
+\subsection{Il tipo dell'immagine dipende dall'engine}\label{ssec:picture_type}
+L'utente probabilmente è a conoscenza che non tutti i tipi di immagini sono compatibili con ciascun compilatore. \pdfTeX\ in modalità \textsc{dvi} richiede file di tipo \code{eps}, mentre \pdfTeX\ in modalità \textsc{pdf}, \XeTeX\ e \LuaTeX\ convertono file di tipo \code{eps} in \code{pdf}, ammesso che l'utente abbia diritti di scrittura nella cartella contenente le immagini.
+
+Gli ultimi elencati sanno tuttavia includere immagini di tipo \code{jpg} e \code{png} senza problemi mentre \pdfTeX\ in modalità \textsc{dvi} non ne è capace.
+
+Per risolvere il problema \ghsystem verifica quale compilatore viene utilizzato, e nel caso di \pdfTeX\ anche la modalità di utilizzo; poi sceglie quale immagine utilizzare tra \code{eps} e \code{png} per i pittogrammi. In ogni caso il tipo di immagine può essere selezionato a piacimento attraverso l'opzione
+\begin{beschreibung}
+ \Option{pic-type}{eps/jpg/png}
+\end{beschreibung}
+\secidx*{Pittogrammi}
+
+\section{Lingue disponibili}\label{sec:ghsystem_language}
+Al momento attuale le frasi H e P sono disponibili solo in inglese, tedesco ed italiano. Il pacchetto reagisce all'opzione \key[option]{german} di \chemmacros, ma non riconosce (ancora) la lingua impostata con \paket{babel} o \paket{polyglossia}.
+
+È possibile scegliere la lingua anche in modo esplicito.
+\begin{beschreibung}
+ \Option{language}{english/german/italian}
+\end{beschreibung}
+\begin{beispiel}
+ \ghs{h}{201}
+
+ \chemsetup[ghsystem]{language=english}
+ \ghs{h}{201}
+\end{beispiel}
+
+È mia intenzione implementare ulteriori lingue in futuro; tuttavia potrebbe volerci ancora del tempo. Chi volesse partecipare a \ghsystem e trascrivere le frasi in un'altra lingua, è invitato a contattarmi\footnote{\href{mailto:contac@mychemistry.eu}{contact@mychemistry.eu}}; gli metterò a disposizione un file template, un \code{pdf} contenenti le traduzioni officiali ed ogni aiuto ulteriore necessario.
+
+\section{Lista delle frasi}\secidx{Lista delle frasi}
+Se si desidera elencare tutte le frasi, è possibile utilizzare il comando
+\begin{beschreibung}
+ \Befehl{ghslistall}[<options>]
+\end{beschreibung}
+
+Questo comando crea una tabella di tutte le frasi nell'ambiente \lstinline=longtable= del pacchetto \paket{longtable}. Il suo aspetto può essere adattato con le opzioni seguenti.
+\begin{beschreibung}
+ \option{table-head-number}{<text>} Default = \code{numero}
+ \option{table-head-text}{<text>} Default = \code{frase}
+ \option{table-next-page}{<text>} Default = \code{segue sulla prossima pagina}
+ \option{table-caption}{<text>} \code{<text>} in \lstinline=\caption{<text>}=. Default = \code{Tutte le frasi H, EUH e P.}
+ \option{table-caption-short}{<text>} \code{<short>} in \lstinline=\caption[<short>]{<text>}=.
+ \option{table-label}{<text>} Il label per inserire riferimenti incrociati con comandi del tipo di \lstinline=\ref=. Default = \code{tab:ghs-hp-statements}
+ \option{table-row-sep}{<dim>} Distanza tra le righe. Una dimensione di \TeX. Default = \code{3pt}
+ \option{table-rules}{\default{default}/booktabs/none} Lo stile delle righe orizzontali della tabella. \code{default} utilizza \lstinline=\hline=, \code{booktabs} utilizza \lstinline=\toprule=, \lstinline=\midrule= e \lstinline=\bottomrule=. Questa opzione richiede il pacchetto \paket{booktabs}, che deve essere caricato. Default = \code{default}
+ \option{table-top-head-rule}{\default{default}/booktabs/none} Variare la riga in modo esplicito. Default = \code{default}
+ \option{table-head-rule}{\default{default}/booktabs/none} Variare la riga in modo esplicito. Default = \code{default}
+ \option{table-foot-rule}{\default{default}/booktabs/none} Variare la riga in modo esplicito. Default = \code{default}
+ \option{table-last-foot-rule}{\default{default}/booktabs/none} Variare la riga in modo esplicito. Default = \code{default}
+\end{beschreibung}
+
+Il codice seguente mostra come è stato creata \ref{tab:ghs-hp-statements}:
+\begin{beispiel}[code only]
+ \ghslistall[fill-in,table-rules=booktabs]
+\end{beispiel}
+
+\ghslistall[fill-in,table-rules=booktabs]
+\secidx*{Lista delle frasi}\secidx*{GHSYSTEM}
+
+\appendix
+\part{Appendice}\index{APPENDICE@\textbf{APPENDICE}}
+\addsec{Panoramica delle opzioni e modalità di adattamento}\label{sec:overview}\secidx{Panoramica delle opzioni (chemmacros)}[Panoramica delle opzioni]
+\minisec{Opzioni}
+Nella tabella seguente sono elencate tutte le opzioni disponibili in \chemmacros. Tutte le opzioni che appartengono ad un particolare modulo possono essere impostate tramite
+\begin{beschreibung}
+ \Befehl{chemsetup}[<module>]{<options>} oppure
+ \Befehl{chemsetup}{<module>/<options>}
+\end{beschreibung}
+Alcune opzioni possono essere utilizzate senza un valore; in tal caso verrà utilizzato il valore \default{sottolineato}. Le opzioni dei moduli \code{\textcolor{module}{chemformula}} e \code{\textcolor{module}{ghssystem}} non sono elencate a parte.
+\small
+\begin{longtable}{>{\ttfamily\color{key}\hspace{5mm}}l>{\ttfamily\color{module}}l>{\ttfamily}l>{\ttfamily}ll}
+ \toprule
+ \normalfont\normalcolor\bfseries opzione &
+ \normalfont\normalcolor\bfseries modulo &
+ \normalfont\bfseries valori &
+ \normalfont\bfseries default & \\
+ \midrule
+ \endhead
+ \bottomrule
+ \endfoot
+ \multicolumn{5}{l}{opzioni globali:} \\
+ bpchem & option & \default{true}/false & false & pagina \pageref{key:option_bpchem} \\
+ circled & option & formal/\default{all}/none & formal & pagina \pageref{key:option_circled} \\
+ circletype & option & chem/math & chem & pagina \pageref{key:option_circletype} \\
+ cmversion & option & 1/2/bundle & bundle & pagina \pageref{key:option_cmversion} \\
+ ghsystem & option & \default{true}/false & true & pagina \pageref{key:option_ghsystem} \\
+ iupac & option & auto/restricted/strict & auto & pagina \pageref{key:option_iupac} \\
+ language & option & <language> & english & pagina \pageref{key:option_language} \\
+ method & option & chemformula/formula & formula & pagina \pageref{key:option_method} \\
+ Nu & option & chemmacros/mathspec & chemmacros & pagina \pageref{key:option_Nu} \\
+ strict & option & \default{true}/false & false & pagina \pageref{key:option_strict} \\
+ synchronize & option & \default{true}/false & false & pagina \pageref{key:option_synchronize} \\
+ greek & option & math/textgreek/\default{upgreek} & upgreek & pagina \pageref{key:option_greek} \\
+ xspace & option & \default{true}/false & true & pagina \pageref{key:option_xspace} \\
+ \multicolumn{5}{l}{\cmd{ba}, \cmd{Nu}:} \\
+ elpair & particle & \default{dots}/dash/false & false & pagina \pageref{key:particle_elpair} \\
+ \multicolumn{5}{l}{IUPAC-Befehle:} \\
+ break-space & iupac & <dim> & .01em & pagina \pageref{key:iupac_break-space} \\
+ bridge-number & iupac & sub/super & sub & pagina \pageref{key:iupac_bridge-number} \\
+ coord-use-hyphen & iupac & \default{true}/false & true & pagina \pageref{key:iupac_coord-use-hyphen} \\
+ hyphen-pre-space & iupac & <dim> & .01em & pagina \pageref{key:iupac_hyphen-pre-space} \\
+ hyphen-post-space & iupac & <dim> & -.03em & pagina \pageref{key:iupac_hyphen-post-space} \\
+ \multicolumn{5}{l}{\cmd{DeclareChemLatin}:} \\
+ format & latin & <anything> & \lstinline=\itshape= & pagina \pageref{key:latin_format} \\
+ \multicolumn{5}{l}{\cmd{pch}, \cmd{mch}, \cmd{fpch}, \cmd{fmch}:} \\
+ append & charges & \default{true}/false & false & pagina \pageref{key:charges_append} \\
+ \multicolumn{5}{l}{acid/base:} \\
+ p-style & acid-base & slanted/italics/upright & upright & pagina \pageref{key:acid-base_p-style} \\
+ \multicolumn{5}{l}{\cmd{ox}:} \\
+ parse & ox & \default{true}/false & true & pagina \pageref{key:ox_parse} \\
+ roman & ox & \default{true}/false & true & pagina \pageref{key:ox_roman} \\
+ pos & ox & top/super/side & top & pagina \pageref{key:ox_pos} \\
+ explicit-sign & ox & \default{true}/false & false & pagina \pageref{key:ox_explicit-sign} \\
+ decimal-marker & ox & comma/point & point & pagina \pageref{key:ox_decimal-marker} \\
+ \multicolumn{5}{l}{\cmd{OX}, \cmd{redox}:} \\
+ dist & redox & <dim> & .6em & pagina \pageref{key:redox_dist} \\
+ sep & redox & <dim> & .2em & pagina \pageref{key:redox_sep} \\
+ \multicolumn{5}{l}{\cmd{Enthalpy}, \cmd{Entropy}, \cmd{Gibbs}:} \\
+ exponent & & <anything> & \cmd{standardstate} & pagina \pageref{key:none_exponent} \\
+ delta & & <anything>/false & & pagina \pageref{key:none_delta} \\
+ subscript & & left/right & & pagina \pageref{key:none_subscript} \\
+ unit & & <unit> & & pagina \pageref{key:none_unit} \\
+ \multicolumn{5}{l}{\cmd{DeclareChemState}, \cmd{RenewChemState}:} \\
+ exponent & & <anything> & \cmd{standardstate} & pagina \pageref{key:none_exponent} \\
+ delta & & <anything>/false & & pagina \pageref{key:none_delta} \\
+ subscript & & <anything> & & pagina \pageref{key:none_subscript} \\
+ subscript-left & & \default{true}/false & & pagina \pageref{key:none_subscript-left} \\
+ \multicolumn{5}{l}{\cmd{State}:} \\
+ exponent & state & <anything> & \cmd{standardstate} & pagina \pageref{key:state_exponent} \\
+ delta & state & <anything>/false & & pagina \pageref{key:state_delta} \\
+ subscript-left & state & \default{true}/false & & pagina \pageref{key:state_subscript-left} \\
+ \multicolumn{5}{l}{\cmd{NMR}, \env{spectroscopy}{}:} \\
+ unit & nmr & <unit> & \cmd{mega}\cmd{hertz} & pagina \pageref{key:nmr_unit} \\
+ nucleus & nmr & \{<num>,<atom symbol>\} & \{1,H\} & pagina \pageref{key:nmr_nucleus} \\
+ format & nmr & <anything> & & pagina \pageref{key:nmr_format} \\
+ pos-number & nmr & side/sub & side & pagina \pageref{key:nmr_pos-number} \\
+ coupling-unit & nmr & <unit> & \lstinline+\hertz+ & pagina \pageref{key:nmr_coupling-unit} \\
+ parse & nmr & \default{true}/false & true & pagina \pageref{key:nmr_parse} \\
+ delta & nmr & <anything> & & pagina \pageref{key:nmr_delta} \\
+ list & nmr & \default{true}/false & false & pagina \pageref{key:nmr_list} \\
+ list-setup & nmr & & vedi il testo & pagina \pageref{key:nmr_list-setup} \\
+ use-equal & nmr & \default{true}/false & false & pagina \pageref{key:nmr_use-equal} \\
+ \multicolumn{5}{l}{\cmd{DeclareChemReaction}:} \\
+ star & & \default{true}/false & false & pagina \pageref{key:none_star} \\
+ arg & & \default{true}/false & false & pagina \pageref{key:none_arg} \\
+ list-name & reaction & <anything> & Elenco delle reazioni & pagina \pageref{key:reaction_list-name} \\
+ list-entry & reaction & <anything> & Reaction & pagina \pageref{key:reaction_list-entry} \\
+ \multicolumn{5}{l}{\cmd{mhName}:} \\
+ align & mhName & <alignment> & \cmd{centering} & pagina \pageref{key:mhName_align} \\
+ format & mhName & <commands> & & pagina \pageref{key:mhName_format} \\
+ fontsize & mhName & <fontsize> & \cmd{tiny} & pagina \pageref{key:mhName_fontsize} \\
+ width & mhName & <dim> & & pagina \pageref{key:mhName_width} \\
+ \multicolumn{5}{l}{phases:} \\
+ pos & phases & side/sub & side & pagina \pageref{key:phases_pos} \\
+ space & phases & <dim> & .1333em & pagina \pageref{key:phases_space} \\
+ \multicolumn{5}{l}{\cmd{newman}:} \\
+ angle & newman & <angle> & 0 & pagina \pageref{key:newman_angle} \\
+ scale & newman & <factor> & 1 & pagina \pageref{key:newman_scale} \\
+ ring & newman & <tikz> & & pagina \pageref{key:newman_ring} \\
+ atoms & newman & <tikz> & & pagina \pageref{key:newman_atoms} \\
+ back-atoms & newman & <tikz> & & pagina \pageref{key:newman_back-atoms} \\
+ \multicolumn{5}{l}{\cmd{orbital} \ttfamily <type> = s/p/sp/sp2/sp3:} \\
+ phase & orbital/<type> & +/- & + & pagina \pageref{key:orbital_phase} \\
+ scale & orbital/<type> & <factor> & 1 & pagina \pageref{key:orbital_scale} \\
+ color & orbital/<type> & <color> & black & pagina \pageref{key:orbital_color} \\
+ angle & orbital/<type> & <angle> & 90 & pagina \pageref{key:orbital_angle} \\
+ half & orbital/p & \default{true}/false & false & pagina \pageref{key:orbital_half} \\
+ overlay & orbital & \default{true}/false & false & pagina \pageref{key:orbital_overlay} \\
+ opacity & ornital & <num> & 1 & pagina \pageref{key:orbital_opacity}
+\end{longtable}
+\normalsize
+
+\minisec{Comandi di personalizzazione}
+È stata presentata una serie di comandi che mostrano le possibilità di adattare \chemmacros. Vengono elencate nuovamente qui sotto.
+\begin{beschreibung}
+ \befehl{DeclareChemArrow} Definisce una nuova freccia, vedi a pagina \pageref{cmd:DeclareChemArrow}.
+ \befehl{RenewChemArrow} Modifica una freccia già esistente.
+ \befehl{DeclareChemIUPAC} Definisce un nuovo comando IUPAC, vedi a pagina \pageref{cmd:DeclareChemIUPAC}.
+ \befehl{RenewChemIUPAC} Ridefinisce un comando IUPAC.
+ \befehl{DeclareChemLatin} Definisce un nuovo termine latino, vedi a pagina \pageref{cmd:DeclareChemLatin}.
+ \befehl{RenewChemLatin} Ridefinisce un termine latino.
+ \befehl{DeclareChemNMR} Definisce un nuovo comando NMR, vedi a pagina \pageref{cmd:DeclareChemNMR}.
+ \befehl{RenewChemNMR} Ridefinisce un comando NMR.
+ \befehl{DeclareChemParticle} Definisce una nuova particella, vedi a pagina \pageref{cmd:DeclareChemParticle}.
+ \befehl{RenewChemParticle} Ridefinisce una particella.
+ \befehl{DeclareChemPhase} Definisce un nuovo comando di fase, vedi a pagina \pageref{cmd:DeclareChemPhase}.
+ \befehl{RenewChemPhase} Ridefinisce un comando di fase
+ \befehl{DeclareChemReaction} Definisce un nuovo ambiente di reazione, vedi a pagina \pageref{cmd:DeclareChemReaction}.
+ \befehl{DeclareChemState} Definisce una nuova grandezza di stato, vedi a pagina \pageref{cmd:DeclareChemState}.
+ \befehl{RenewChemState} Ridefinisce una grandezza di stato.
+\end{beschreibung}
+\secidx*{Panoramica delle opzioni (chemmacros)}[Panoramica delle opzioni]
+
+\addsec{Suggerimenti e avvisi di bug}
+Ogni feedback riguardante \chemmacros, \chemformula e \ghsystem è il benvenuto! Se vi sono proposte, se mancano delle funzionalità oppure vengono notati dei bug, non esitate a contattarmi. Se venissero trovati degli errori, siano essi di natura chimica, documentazione sbagliata ecc.\ sarei grato di una breve e-mail\footnote{\href{mailto:contact@mychemistry.eu}{contact@mychemistry.eu}}.
+
+Se venisse trovato un bug, sarebbe il meglio mandarmi un esempio minimale con cui sia possibile riprodurre il bug. È anche possibile segnalaro come \enquote{Issue} su \url{https://bitbucket.org/cgnieder/chemmacros/}.
+
+Ringrazio tanto anche tutti coloro da cui ho già avuto segnalazioni, in particolare (in ordine alfabetico):
+\begin{itemize}
+ \item \href{http://www.mathannotated.com/}{Peter Cao}
+ \item Christina Lüdigk
+ \item Dr.\@ Paul King
+ \item Jonas Rivetti (traduzione delle frasi H e P in italiano; besonderen Dank für die Übersetzung der Dokumentation!)
+ \item Christoph Schäfer
+\end{itemize}
+
+\printbibliography[title=Bibliografia]
+
+{\catcode`\^=11 \catcode`\#=11 \catcode`\|=11
+\printindex}
+
+\end{document} \ No newline at end of file