%%
%% Sample TeX file for the HRMS Dijon 2019 abstracts
%%
%% Lines (or parts of) beginning with at least one '%' are comments
%% and are silently ignored by LaTeX
%%
%% Codings beginning with \ are LaTeX macros, or commands.
%% They are used to tell the LaTeX parser how to format the document.
%% All the macros below are mandatory.
%%
%% Various informations about latex may be found at
%%
%%   http://en.wikibooks.org/wiki/LaTeX
%%
%% *-----------------------------------------------------------------------------------------*
\documentclass[11pt]{article}

\usepackage{hrms}  %% Page settings, style ... for the HRMS abstract book.

%% *-----------------------------------------------------------------------------------------*

\title{UNLOCKING THE MYSTERIES OF ETHANOL TRIMER THROUGH BROADBAND ROTATIONAL SPECTROSCOPY AND COMPUTATIONAL STUDIES}

%% Note that \author and \address macros must be paired.
%% The names of authors must also appear IN CAPITALS.
%% The name(s) of author(s) presenting the work is(are) usually underlined.

\author{\underline{\FirstName S. I. \LastName MURUGACHANDRAN},
  \FirstName I. \LastName PE\~{N}A}
\address{Department of Chemistry, King's College London, London SE1 1DB, UK}

%% The \FirstName and \LastName macros are mandatory for each author
%% to make sure that the author index is properly auto-generated.
%% Otherwise, these macros do nothing in particular.

%% Add or remove \author and \address pair(s) below to suite your needs
\author{\FirstName A. M. \LastName LAMSABHI, \FirstName M. \LastName YA\~{N}EZ}
\address{Departamento de Qu\'{i}mica, C-9, Universidad Aut\'{o}noma de Madrid, Cantoblanco, 28049, Madrid, Spain}

\author{\FirstName M. E. \LastName SANZ}
\address{Department of Chemistry, King's College London, London SE1 1DB, UK}

%% *-----------------------------------------------------------------------------------------*

%% Place below other \usepackage{ ... }, if you need other packages.
%% See http://www.tug.org/texlive/doc.html for a description of available packages.

%% The macros below will change the page head and foot.
%% Please, do not modify the content of the \fancyhead macro nor the \fancyfoot line.
\usepackage{fancyhdr}
\pagestyle{fancy}
\fancyhead[C]{{\footnotesize \textit{HRMS, 28th Colloquium, Dijon, France,
  Aug. 28 - Sept. 1, 2023}}}
\fancyfoot[C]{}
\renewcommand{\headrulewidth}{0.6pt}
\renewcommand{\footrulewidth}{0.6pt}

%% The hyperref package allows to include hyperlinks in a document.
%% See the instructions for abstract submission for more details.
%% WARNING: Make sure that this package comes LAST since it re-defines many LaTeX macros.
\usepackage[colorlinks=true,urlcolor=blue,linkcolor=blue,citecolor=blue]{hyperref}
\voffset -.65 cm

%% *-----------------------------------------------------------------------------------------*

\category {4,11}
\begin{document}

\maketitle  %% This will also build the list of author(s) and addresse(s).

%% Index macro(s): see the abstract samples and the instructions
%% \index{Item1}
%% \index{Item2}

%% Place the body of your abstract below.
The study of hydrogen-bonded complexes in the gas phase aims to advance our knowledge of the intermolecular forces at play in these
systems. To this end, ethanol clusters are of particular interest as archetypes of the interplay between hydrogen bonding and London
dispersion forces. Here we present an investigation of the conformational preferences of ethanol trimer using computational methods in
combination with broadband rotational spectroscopy. The potential energy surface of ethanol trimer has been investigated through DFT 
and ab initio calculations and the lower-energy conformations are predicted to have the -OH groups forming a hydrogen bonded cyclic structure. 
From the analysis of the rotational spectrum, four complexes of ethanol trimer have been identified, arising from four distinct families dependant 
on the monomer conformation. All isomers display O-H$\cdots$O hydrogen bonds between the three hydroxyl groups, where each hydroxyl group 
simultaneously acts as hydrogen bond donor and acceptor. In all complexes the  O-H$\cdots$O bonds form a six membered ring and the
 -CH$_{2}$CH$_{3}$ tails of ethanol arrange themselves  above and below the plane, simultaneously maximising van der Waals 
interactions and minimising steric repulsion. The potential energy surface, assignment and conformational preferences of ethanol 
trimer will be discussed.
\end{document}
