--- trunk/COonPt/firstTry.tex	2013/03/13 14:57:09	3874
+++ trunk/COonPt/firstTry.tex	2013/03/13 19:18:03	3875
@@ -1,4 +1,13 @@
-\documentclass[11pt]{article}
+\documentclass[journal = jpccck, manuscript = article]{achemso}
+\setkeys{acs}{usetitle = true}
+\usepackage{achemso}
+\usepackage{caption}
+\usepackage{float}
+\usepackage{geometry}
+\usepackage{natbib}
+\usepackage{setspace}
+\usepackage{xkeyval}
+%%%%%%%%%%%%%%%%%%%%%%%
 \usepackage{amsmath}
 \usepackage{amssymb}
 \usepackage{times}
@@ -6,13 +15,14 @@
 \usepackage{setspace}
 \usepackage{endfloat}
 \usepackage{caption}
-%\usepackage{tabularx}
+\usepackage{tabularx}
+\usepackage{longtable}
 \usepackage{graphicx}
 \usepackage{multirow}
-%\usepackage{booktabs}
-%\usepackage{bibentry}
-%\usepackage{mathrsfs}
-\usepackage[square, comma, sort&compress]{natbib}
+\usepackage{multicol}
+
+\usepackage[version=3]{mhchem}  % this is a great package for formatting chemical reactions
+% \usepackage[square, comma, sort&compress]{natbib}
 \usepackage{url}
 \pagestyle{plain} \pagenumbering{arabic} \oddsidemargin 0.0cm
 \evensidemargin 0.0cm \topmargin -21pt \headsep 10pt \textheight
@@ -22,13 +32,27 @@
 %\AtBeginDelayedFloats{\renewcomand{\baselinestretch}{1.66}}
 \setlength{\abovecaptionskip}{20 pt}
 \setlength{\belowcaptionskip}{30 pt}
+% \bibpunct{}{}{,}{s}{}{;}
 
-\bibpunct{}{}{,}{s}{}{;}
-\bibliographystyle{achemso}
+%\citestyle{nature}
+% \bibliographystyle{achemso}
 
-\begin{document}
+\title{Molecular Dynamics simulations of the surface reconstructions
+  of Pt(557) and Au(557) under exposure to CO}
+
+\author{Joseph R. Michalka}
+\author{Patrick W. McIntyre}
+\author{J. Daniel Gezelter}
+\email{gezelter@nd.edu}
+\affiliation[University of Notre Dame]{251 Nieuwland Science Hall\\
+  Department of Chemistry and Biochemistry\\ University of Notre
+  Dame\\ Notre Dame, Indiana 46556}
+
+\keywords{}
 
+\begin{document}
 
+ 
 %%
 %Introduction
 %	Experimental observations
@@ -47,26 +71,7 @@
 %Summary
 %%
 
-%Title
-\title{Molecular Dynamics simulations of the surface reconstructions
-  of Pt(557) and Au(557) under exposure to CO}
 
-\author{Joseph R. Michalka, Patrick W. McIntyre and J. Daniel
-Gezelter\footnote{Corresponding author. \ Electronic mail: gezelter@nd.edu} \\
-Department of Chemistry and Biochemistry,\\
-University of Notre Dame\\
-Notre Dame, Indiana 46556}
-
-%Date
-\date{Mar 5, 2013}
-
-%authors
-
-% make the title
-\maketitle
-
-\begin{doublespace}
-
 \begin{abstract}
 We examine surface reconstructions of Pt and Au(557) under
 various CO coverages using molecular dynamics in order to 
@@ -300,7 +305,7 @@ zone.\cite{Monkhorst:1976,PhysRevB.13.5188} The relaxe
 performed until the energy difference between subsequent steps 
 was less than $10^{-8}$ Ry.   Nonspin-polarized supercell calculations 
 were performed with a 4~x~4~x~4 Monkhorst-Pack {\bf k}-point sampling of the first Brillouin
-zone.\cite{Monkhorst:1976,PhysRevB.13.5188} The relaxed gold slab was
+zone.\cite{Monkhorst:1976} The relaxed gold slab was
 then used in numerous single point calculations with CO at various
 heights (and angles relative to the surface) to allow fitting of the
 empirical force field.
@@ -346,7 +351,7 @@ future work.
   \multirow{2}{*}{\textbf{Pt-CO}} & \multirow{2}{*}{-1.9} & -1.4 \bibpunct{}{}{,}{n}{}{,}
   (Ref. \protect\cite{Kelemen:1979}) \\
  & &  -1.9 \bibpunct{}{}{,}{n}{}{,} (Ref. \protect\cite{Yeo}) \\ \hline
-  \textbf{Au-CO} & -0.39 & -0.40 \bibpunct{}{}{,}{n}{}{,}  (Ref. \protect\cite{TPD_Gold}) \\
+  \textbf{Au-CO} & -0.39 & -0.40 \bibpunct{}{}{,}{n}{}{,}  (Ref. \protect\cite{TPDGold}) \\
   \hline
 \end{tabular}
 \label{tab:co_energies}
@@ -761,13 +766,18 @@ In this work we have shown the reconstruction of the P
 % \end{tabular}
 % \end{table}
 
-\section{Acknowledgments}
+\begin{acknowledgement}
 Support for this project was provided by the National Science
 Foundation under grant CHE-0848243 and by the Center for Sustainable
 Energy at Notre Dame (cSEND). Computational time was provided by the
 Center for Research Computing (CRC) at the University of Notre Dame.
-
+\end{acknowledgement}
 \newpage
 \bibliography{firstTryBibliography}
-\end{doublespace}
+%\end{doublespace}
+
+\begin{tocentry}
+%\includegraphics[height=3.5cm]{timelapse}
+\end{tocentry}
+
 \end{document}
