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TCA publishes papers in all fields of theoretical chemistry, computational chemistry, and modeling. Fundamental studies as well as applications are included in the scope. In many cases, theorists and computational chemists have special concerns which reach either across the vertical borders of the special disciplines in chemistry or else across the horizontal borders of structure, spectra, synthesis, and dynamics. TCA is especially interested in papers that impact upon multiple chemical disciplines.
TCA was founded in 1962 specifically to provide theoretical chemists with a high-quality, peer reviewed communication medium for their work. The TCA Letters section guarantees review of manuscripts submitted for the Letters section within four weeks of their receipt to meet the need for rapid publication. In response to the need for accounts that assist researchers in maintaining a perspective on important recent developments, TCA also publishes overviews, either of a coherent body of work or of an especially rapidly developing subfield of theoretical or computational chemistry. Finally, TCA publishes regular articles reporting original work. Such articles contain full details of the theory and/or computations.
TCA encourages authors to take advantage of the opportunities offered by electronic publishing and maintains an internet archive for the viewing, storage, and downloading of supplementary material for papers published in TCA. 

Honorary Editor 
Klaus Ruedenberg
Editors-in-Chief
Carlo Adamo
Ilaria Ciofini
Equipe Chimie Théorique et Modélisation
IRCP UMR CNRS 
ENSCP-Chimie ParisTech
Paris, France
carlo.adamo@chimie-paristech.fr
Ilaria.ciofini@chimie-paristech.fr 

Associate Editor
Weitao Yang
Department of Chemistry
Duke University
Durham, NC, USA 
yang@chem.duke.edu
Chief Advisory Editor 
Donald G. Truhlar
Department of Chemistry
University of Minnesota
207 Pleasant Street SE
Minneapolis, MN, USA
e-mail: truhlar@umn.edu 
e-mail: chemedit@umn.edu
Editorial Board
Johan Aqvist
Uppsala University
Biomedical Center
Dept. Cell and Molecular Biology
Uppsala, Sweden
johan.aqvist@icm.uu.se
Vincenzo Barone
Scuola Normale Superiore
Pisa, Italy
vincenzo.barone@sns.it
Victor S. Batista
Department of Chemistry
Yale University
New Haven, CT, USA
victor.batista@yale.edu

Prof. Paolo Carloni
Computational Biomedicine
Forschungszentrum Jülich
Jülich, Germany
p.carloni@fz-juelich.de
Mark E. Casida
Institut de Chimie Moleculaire de Grenoble
Université Joseph Fourier 
Grenoble, France
mark.casida@ujf-grenoble.fr
Benoît Champagne
Facultés Université Notre Dame
de la Paix Namur
Namur, Belgium
benoit.champagne@fundp.ac.be

Henry Chermette
Institut des Sciences et Analytiques
Université Claude Bernard Lyon-1
Villeurbanne, France
cherm@ipnl.in2p3.fr
Michael A. Collins
Research School of Chemistry
Australian National University
Canberra, ACT, Australia
collins@rsc.anu.edu.au

Sonia Coriani
Università Degli Studi di Trieste
Department of Chemical and Pharmaceutical Sciences
Trieste, Italy
coriani@units.it
Clemence Corminboeuf
École Polytechnique Féderale de Lausanne
Laboratory for Computational Molecular Design
Lausanne, Switzerland
clemence.corminboeuf@epfl.ch
Gino A. DiLabio
National Institute for Nanotechnology
National Research Council
Edmonton, Alberta, Canada
Gino.DiLabio@nrc-cnrc.gc.ca

Masahiro Ehara
Institute for Molecular Science
Research Center for Computational Science
Okazaki, Japan
ehara@ims.ac.jp

Prof. Pedro Alexandrino Fernandes
Department of Chemistry and Biochemistry
University of Porto
Porto, Portugal
pafernan@fc.up.pt

Laura Gagliardi
University of Minnesota
Department of Chemistry
Minneapolis, MN, USA
gagliard@umn.edu
Leticia González
Institute of Theoretical Chemistry
University of Vienna
Vienna, Austria
leticia.gonzalez@univie.ac.at
Hua Guo
Department of Chemistry and Chemical Biology
University of New Mexico
Albuquerque, NM, USA
hguo@unm.edu
Jeremy Harvey
KU Leuven
Department of Chemistry
Heverlee, Belgium
jeremy.harvey@chem.kuleuven.be
So Hirata
Department of Chemistry
University of Illinois
at Urbana-Champaign
Urbana, IL, USA
sohirata@illinois.edu
Francesc Illas Riera
Departament de Quimica Fisica & IQTCUB
Universitat de Barcelona
Barcelona, Spain
francesc.illas@ub.edu

Prof. Annia Galano Jiménez
Departemento de Química
Universidad Autónoma Metropolitana
México, Mexico
agal@xanum.uam.mx

Prof. Erin Johnson
Department of Chemistry
Dalhousie University
Halifax, Canada
Erin.Johnson@Dal.Ca
Prof. Martin Kaupp
Technische Universität Berlin
Institut für Chemie
Berlin, Germany
martin.kaupp@tu-berlin.de
Carmay Lim
Institute of Biomedical Sciences
Academia Sinica
Taipei, Taiwan 11529
carmay@gate.sinica.edu.tw
José M. Lluch
Departamento de Química
Universitat Autònoma de Barcelona
Bellaterra (Barcelona), Spain
lluch@klingon.uab.es
F. Javier Luque 
Unitat Fisicoquimica 
Facultat de Farmacia 
Universitat de Barcelona 
Barcelona, Spain 
fjluque@ub.edu

Neepa Maitra
Hunter College of the City University of New York
Dept. Of Physics and Astronomy
New York, USA
nmaitra@hunter.cuny.edu
Jan M.L. Martin
Department of Chemistry
Weizmann Institute of Science
Rehovot, Israel
gershom@Weizmann.ac.il
Benedetta Mennucci
Dipartimento di Chimica e Chimica Industriale
Università di Pisa
Pisa, Italy
bene@dcci.unipi.it
Fernando R. Ornellas
Universidade de São Paulo
Instituto de Química
Departmento de Química Fundamental
São Paulo, São Paulo, Brazil
frornell@usp.br
Gianfranco Pacchioni 
Dipto. di Scienza dei Materiali 
Università di Milano-Bicocca 
Milano, Italy
gianfranco.pacchioni@unimib.it

Markus Reiher
ETH Zürich
Laboratory of Physical Chemistry
Zürich, Switzerland
markus.reiher@phys.chem.ethz.ch
Andreas Savin
Université Pierre et Marie Curie (Paris 6)
Paris, France
andreas.savin@lct.jussieu.fr
Zhigang Shuai
Department of Chemistry
Tsinghua University
Beijing, China
zgshuai@tsinghua.edu.cn
J. Ilja Siepmann
Department of Chemical Engineering
and Materials Science
University of Minnesota
Minneapolis, MN, USA
siepmann@umn.edu
Miquel Solà
Institute of Computational Chemistry and Catalysis
University of Girona
Girona, Spain
miquel.sola@udg.edu
Mark E. Tuckerman
Department of Chemistry and Courant
Institute of Mathematical Sciences
New York University
New York, NY, USA
mark.tuckerman@nyu.edu
Christoph van Wüllen
TU Kaiserslautern, FB Chemie
Kaiserslautern, Germany
vanwullen@chemie.uni-kl.de

Xin Xu
Fudan University
Dept. Of Chemistry
Shanghai, China
xxchem@fudan.edu.cn
Jinlong Yang
Department of Chemial Physics
University of Science and Technology of China
Hefei, Anhui, China 
jlyang@ustc.edu.cn
Xiao Cheng Zeng
Department of Chemistry
University Nebraska-Lincoln
Lincoln, NE, USA
xzeng@unl.edu
Chang-Guo Zhan
College of Pharmacy
Dept. Pharmaceutical Sciences
University of Kentucky
Lexington, KY, USA
zhan@uky.edu