Computational Chemistry PhD Thesis from the University of Minnesota
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% thesis.tex: Primary TeX control file for thesis.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\documentclass[11pt, oneside]{mnthesis}
\usepackage{epsfig,epic,eepic,units}
\usepackage{hyperref}
\usepackage{textcomp}
\usepackage{url}
\usepackage{longtable}
\usepackage{mathrsfs}
\usepackage{array}
\usepackage{multirow}
\usepackage{bigstrut}
\usepackage{amssymb}
\usepackage{amsmath}
\usepackage{adjustbox}
\usepackage{graphicx}
\usepackage{lscape}
\usepackage{notoccite}
\usepackage[numbers, super]{natbib}
%\usepackage[initials, citation-order, numbers, super, biblabel]{natbib}
\input{my_definitions}
\renewcommand{\thefootnote}{\alph{footnote}}
\newcolumntype{L}[1]{>{\raggedright\let\newline\\\arraybackslash\hspace{0pt}}m{#1}}
\newcolumntype{C}[1]{>{\centering\let\newline\\\arraybackslash\hspace{0pt}}m{#1}}
\newcolumntype{R}[1]{>{\raggedleft\let\newline\\\arraybackslash\hspace{0pt}}m{#1}}
\linespread{1.3}
\begin{document}
\sloppy
%\bibliographystyle{hunsrt} % style of bibliography
\bibliographystyle{achemso} % style of bibliography
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% Title and other sections that come before the body of the document
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\include{title}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% Now lets include the body of the document...
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\include{intro}
%Chapter 2
\chapter{Theoretical and Experimental Studies of Magnetic Properties of Fe$_2$(dobdc) Before and After Oxidation}\label{magnetism_chapter}
\include{magnetism1}
\include{magnetism2}
%Chapter 3
\chapter{\textit{Ab Initio} Parameterized Forces Fields for Carbon Dioxide Adsorption in M$_4$(O)(bdc)$_3$ and M$_2$(dobdc)}\label{co2_adsorption_chapter}
\include{co2_adsorption3}
\include{co2_adsorption1}
\include{co2_adsorption2}
%Chapter 4
\chapter{Experimental and Computational Characterization of Zr$_6$ and Hf$_6$ Based MOFs for Catalysis}\label{mod-catalysis_chapter}
\include{structural}
\include{hf-nu1000}
\include{al-nu1000}
\include{ir-nu1000}
\include{zrbn-nu1000}
\include{silica-nu1000}
%Conclusion
%\include{conclusion}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% Bibliography, uncomment for final version
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%\bibliographystyle{abbrv}
%\bibliographystyle{unsrt}
\addcontentsline{toc}{chapter}{References}
\bibliography{PhD_thesis}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% Appendices
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%\appendix
\include{app_glossary}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
% End the Document
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\end{document}
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
pdflatex thesis_phd.tex