Logo - springer
Slogan - springer

Chemistry - Theoretical and Computational Chemistry | Theoretical Chemistry Accounts - incl. option to publish open access (Editorial Board)

Theoretical Chemistry Accounts

Theoretical Chemistry Accounts

Theory, Computation, and Modeling

Editors-in-Chief: C. Adamo; I. Ciofini
Chief Advisory Editor Donald G. Truhlar
Associate Editors: Weitao Yang

ISSN: 1432-881X (print version)
ISSN: 1432-2234 (electronic version)

Journal no. 214

$199.00 Personal Rate e-only for the Americas
Get Subscription

Online subscription, valid from January through December of current calendar year

Immediate access to this year's issues via SpringerLink

1 Volume(-s) with 12 issue(-s) per annual subscription

Automatic annual renewal

More information: >> FAQs // >> Policy

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

Social Media Advisor and Member of the Editorial Board
Christopher J. Cramer
Department of Chemistry
University of Minnesota
207 Pleasant Street SE
Minneapolis, MN, USA
e-mail: cramer@umn.edu

Editorial Board

Johan Aqvist
Uppsala University
Biomedical Center
Dept. Cell and Molecular Biology
Uppsala, Sweden
johan.aqvist@icm.uu.se

Kim K. Baldridge
Institute of Organic Chemistry
University of Zürich
Zürich, Switzerland
kimb@oci.uzh.ch

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

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

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

Martin J. Field
Laboratoire de Dynamique Moleculaire
Institut de Biologie Structurale -
Jean-Pierre Ebel
Grenoble, France
mjfield@ibs.fr

Joseph S. Francisco
Department of Chemistry
Purdue University
West Lafayette, IN, USA
francisc@purdue.edu

Laura Gagliardi
University of Minnesota
Department of Chemistry
Minneapolis, MN, USA
gagliard@umn.edu

Julian D. Gale
Nanochemistry Reseach Institute
Department of Applied Chemistry
Curtin University of Technology
Perth, Western Australia
julian@ivec.org

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

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

Hans-Dieter Meyer
Universität Heidelberg
Theoretische Chemie
Heidelberg, Germany
Hans-Dieter.Meyer@pci.uni-heidelberg.de

Per-Ola Norrby
University of Gothenburg
Department of Chemistry
Göteborg, Sweden
pon@chem.gu.se

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

Julia Rice
Computational Chemistry and Materials Science
IBM Almaden Research Center
San Jose, CA, USA
jrice@us.ibm.com

Andreas Savin
Université Pierre et Marie Curie (Paris 6)
Paris, France
andreas.savin@lct.jussieu.fr

Gustavo E. Scuseria
Department of Chemistry
Rice University
Houston, TX, USA
guscus@rice.edu

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

 

For authors and editors


  • Journal Citation Reports®
    2016 Impact Factor
  • 1.890
  • Aims and Scope

    Aims and Scope

    Close

    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.

  • Submit Online
  • Open Choice - Your Way to Open Access
  • Instructions for Authors

    Instructions for Authors

    Close

  • Author Academy: Training for Authors
  • English Language Editing

    English Language Editing

    Close

  • Copyright Information

    Copyright Information

    Close

    Copyright Information

    For Authors

    Submission of a manuscript implies: that the work described has not been published before (except in form of an abstract or as part of a published lecture, review or thesis); that it is not under consideration for publication elsewhere; that its publication has been approved by all co-authors, if any, as well as – tacitly or explicitly – by the responsible authorities at the institution where the work was carried out.

    Author warrants (i) that he/she is the sole owner or has been authorized by any additional copyright owner to assign the right, (ii) that the article does not infringe any third party rights and no license from or payments to a third party is required to publish the article and (iii) that the article has not been previously published or licensed. The author signs for and accepts responsibility for releasing this material on behalf of any and all co-authors. Transfer of copyright to Springer (respective to owner if other than Springer) becomes effective if and when a Copyright Transfer Statement is signed or transferred electronically by the corresponding author. After submission of the Copyright Transfer Statement signed by the corresponding author, changes of authorship or in the order of the authors listed will not be accepted by Springer.

    The copyright to this article, including any graphic elements therein (e.g. illustrations, charts, moving images), is assigned for good and valuable consideration to Springer effective if and when the article is accepted for publication and to the extent assignable if assignability is restricted for by applicable law or regulations (e.g. for U.S. government or crown employees).

    The copyright assignment includes without limitation the exclusive, assignable and sublicensable right, unlimited in time and territory, to reproduce, publish, distribute, transmit, make available and store the article, including abstracts thereof, in all forms of media of expression now known or developed in the future, including pre- and reprints, translations, photographic reproductions and microform. Springer may use the article in whole or in part in electronic form, such as use in databases or data networks for display, print or download to stationary or portable devices. This includes interactive and multimedia use and the right to alter the article to the extent necessary for such use.

    Authors may self-archive the Author's accepted manuscript of their articles on their own websites. Authors may also deposit this version of the article in any repository, provided it is only made publicly available 12 months after official publication or later. He/she may not use the publisher's version (the final article), which is posted on SpringerLink and other Springer websites, for the purpose of self-archiving or deposit. Furthermore, the Author may only post his/her version provided acknowledgement is given to the original source of publication and a link is inserted to the published article on Springer's website. The link must be accompanied by the following text: "The final publication is available at link.springer.com".

    Prior versions of the article published on non-commercial pre-print servers like arXiv.org can remain on these servers and/or can be updated with Author's accepted version. The final published version (in pdf or html/xml format) cannot be used for this purpose. Acknowledgement needs to be given to the final publication and a link must be inserted to the published article on Springer's website, accompanied by the text "The final publication is available at link.springer.com". Author retains the right to use his/her article for his/her further scientific career by including the final published journal article in other publications such as dissertations and postdoctoral qualifications provided acknowledgement is given to the original source of publication.

    Author is requested to use the appropriate DOI for the article. Articles disseminated via link.springer.com are indexed, abstracted and referenced by many abstracting and information services, bibliographic networks, subscription agencies, library networks, and consortia.

    For Readers

    While the advice and information in this journal is believed to be true and accurate at the date of its publication, neither the authors, the editors, nor the publisher can accept any legal responsibility for any errors or omissions that may have been made. The publisher makes no warranty, express or implied, with respect to the material contained herein.

    All articles published in this journal are protected by copyright, which covers the exclusive rights to reproduce and distribute the article (e.g., as offprints), as well as all translation rights. No material published in this journal may be reproduced photographically or stored on microfilm, in electronic data bases, video disks, etc., without first obtaining written permission from the publisher (respective the copyright owner if other than Springer). The use of general descriptive names, trade names, trademarks, etc., in this publication, even if not specifically identified, does not imply that these names are not protected by the relevant laws and regulations.

    Springer has partnered with Copyright Clearance Center's RightsLink service to offer a variety of options for reusing Springer content. For permission to reuse our content please locate the material that you wish to use on link.springer.com or on springerimages.com and click on the permissions link or go to copyright.com, then enter the title of the publication that you wish to use. For assistance in placing a permission request, Copyright Clearance Center can be connected directly via phone: +1-855-239-3415, fax: +1-978-646-8600, or e-mail: info@copyright.com.


    © Springer-Verlag Berlin Heidelberg

Services for the Journal

Alerts for this journal

 

Get the table of contents of every new issue published in Theoretical Chemistry Accounts.