期刊名称：THEORETICAL CHEMISTRY ACCOUNTS
 期刊简介(About the journal)
投稿须知(Instructions to Authors)
编辑部信息(Editorial Board)
About the journal
Description
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.
Impact Factor: 2.537 (2007) *
* Journal Citation Reports? Thomson Reuters
Abstracted/Indexed in:
Academic Search Alumni Edition, Academic Search Complete, Academic Search Premier, Chemistry Citation Index, Current Abstracts, Current Contents/Physical, Chemical and Earth Sciences, Google Scholar, Journal Citation Reports/Social Sciences Edition, OCLC ArticleFirst Database, OCLC FirstSearch Electronic Collections Online, Reaction Citation Index, Science Citation Index, Science Citation Index Expanded (SciSearch), SCOPUS, Summon by Serial Solutions, TOC Premier
Instructions to Authors
For authors and editors
TCA Manuscript Types
TCA considers for publication, in English language, four kinds of manuscripts:
overviews, regular articles, letters, and conference reports. All papers should be of interest to researchers in the areas of chemical theory, computation, and modeling. All branches of chemistry (e.g., physical, organic, inorganic, polymer, biological, materials, etc.) are included.
Overviews should summarize recent progress in a specific field and should be written in a style that addresses the broad theoretical and computational chemistry community; they are normally restricted to 30,000 characters, including tables and references. In addition, up to eight figures may be submitted. Authors having compelling reasons to exceed these limits are welcome to contact the Editor for further discussion.
Regular articles should report work of particular interest to specialists in the theoretical and computational chemistry fields. Examples of such work include numerical methods, new developments in analytical theory, parameterization and force field validation, basis set developments, new classical and quantal algorithms and simulation methodologies, and finally applications of existing methodologies to the extent that they address particularly interesting and topical chemical problems and/or break new ground in illustrating the capabilities of the method(s) examined. Papers focusing on graph theoretical work and quantitative structure-activity relationships are generally judged to fall outside the scope of the journal. There is no restriction on manuscript size; brevity is encouraged insofar as scientific content allows.
Letters are normally restricted to 12,000 characters, including tables and references. In addition, up to six figures may be submitted.
TCA invites submission of reports from symposia, workshops, and conferences of interest to our readers. Such reports should contain results of interest to theoretical and computational chemists or modelers. Reports which provide a snapshot of the status of some subfield or research topic are most welcome; those consisting mainly of lecture titles without results or conclusions are not appropriate for publication.
All manuscripts should be submitted electronically. A list of five or more potential referees, at least one of whom is a member of the Advisory Editorial Board, must be provided together with email addresses. Review within four weeks of receipt is guaranteed for Letters, while other submissions will be handled with all due alacrity.
Instructions to Authors
.pdf
Editorial Board
Editorial Board
Honorary Editor
Klaus Ruedenberg
Editor
Christopher J. Cramer
Department of Chemistry
University of Minnesota
207 Pleasant Street SE
Minneapolis, MN 55455-0431, USA
Tel.: + 1-612-6240859
Fax: +1-612-6267541
e-mail: cramer@umn.edu
Chief Advisory Editor
Donald G. Truhlar
Department of Chemistry
University of Minnesota
207 Pleasant Street SE
Minneapolis, MN 55455-0431, USA
Tel.: +1-612-6247555
Fax: +1-612-6267541
e-mail: truhlar@umn.edu
e-mail: editorial@chemedit@umn.edu
Secretarial Assistant
Viki Ding
Tel.: +1-612-6261827
Fax: +1-612-6262006
e-mail: tca@umn.edu
Editorial Board
Australia
Michael A. Collins
Research School of Chemistry
Australian National University
Canberra, ACT 0200
Tel.: +61-61253254
Fax: +61-61250750
e-mail: collins@rsc.anu.edu.au
Julian D. Gale
Nanochemistry Reseach Institute
Department of Applied Chemistry
Curtin University of Technology
P.O. Box U1987
Perth 6845, Western Australia
Tel.: +61-8-9266-3838
Fax: +61-8-9266-4699
e-mail: julian@ivec.org
Belgium
Benoît Champagne
Facultés Universit?Notre Dame
de la Paix Namur
Lab. CTA
Rue de Bruxelles 61
5000 Namur
Tel.: +32-81-724554
Fax: +32-81-724567
e-mail: benoit.champagne@fundp.ac.be
France
Odile Eisenstein
Laboratoire de Structure et Dynamique des
Systèmes Moléculaires et Solides
Universit?de Montpellier II
34095 Montpellier Cedex 5
Tel.: +33-4-67143306
Fax: +33-4-67144839
e-mail: eisenst@lsd.univ-montp2.fr
Martin J. Field
Laboratoire de Dynamique Moleculaire
Institut de Biologie Structurale -
Jean-Pierre Ebel
41, rue Jules Horowitz
38027 Grenoble Cedex 1
Tel.: +33-4-38789594
Fax: +33-4-38785494
e-mail: mjfield@ibs.fr
Richard Lavery
Institut de Biologie et Chimie des Protéines
CNRS UMR 5086
Universit?de Lyon
7 passage du Vercors
Lyon 69367
France
Tel.: +33-4-72722637
Fax: +33-4-72722604
e-mail: richard.lavery@ibcp.fr
Andreas Savin
Universit?Pierre et Marie Curie (Paris 6)
Laboratoire de Chimie Théorique
4, place Jussieu
Case courrier 137
75252 Paris Cedex 05
Tel.: +33-1-4427 6196
Fax: +33-1-4427 4117
e-mail: andreas.savin@lct.jussieu.fr
Germany
Stefan Grimme
Abt. Theoretische Chemie
Organisch-Chemisches Institut
Westfälische Wilhelms-Universität
Correnstr. 40
48149 Münster
Tel.: +49-251-8336512
Fax: +49-251-8336515
e-mail: grimmes@uni-muenster.de
Hans-Dieter Meyer
Universität Heidelberg
Theoretische Chemie
Im Neuenheimer Feld 229
69120 Heidelberg
Tel.: +49-6221-545210
Fax: +49-6221-545221
e-mail: Hans-Dieter.Meyer@pci.uni-heidelberg.de
Walter Thiel
Max-Planck-Institut für Kohlenforschung
Kaiser-Wilhelm-Platz 1
45470 Mülheim an der Ruhr
Tel.: +49-208-3062150
Fax: +49-208-3062996
e-mail: thiel@mpi-muelheim.mpg.de
Hans-Joachim Werner
Institute for Theoretical Chemistry
University of Stuttgart
Pfaffenwaldring 55
70569 Stuttgart
Tel.: +49-711-6854400
Fax: +49-711-6854442
e-mail: werner@theochem.uni-stuttgart.de
Israel
Jan M.L. Martin
Department of Organic Chemistry
Weizmann Institute of Science
76100 Rehovot
Israel
Fax: +972-8-9344142
e-mail: comartin@weizmann.ac.il
Italy
Vincenzo Barone
Scuola Normale Superiore
Piazza dei Cavalieri 7
56126 Pisa
Tel.: +39-50-509134
Fax: +39-50-563513
e-mail: vincenzo.barone@sns.it
Benedetta Mennucci
Dipartimento di Chimica e Chimica Industriale
Universit?di Pisa
Risorgimento 35
56126 Pisa
Tel.: +39-050 2219293
Fax: +39-050 2219260
e-mail: bene@dcci.unipi.it
Gianfranco Pacchioni
Dipto. di Scienza dei Materiali
Universit?di Milano-Bicocca
Via R. Cozzi 53
20125 Milano
Tel.: +39-02-6448 5219
Fax: +39-02-6448-5400
e-mail: gianfranco.pacchioni@unimib.it
Japan
Shigeki Kato
Department of Chemistry
Graduate School of Science
Kyoto University
Kitashirakawa, Sakyo-ku
Kyoto 606-8502
Tel.: +81-75-7534004
Fax: +81-75-7534000
e-mail: shigeki@kuchem.kyoto-u.ac.jp
Netherlands
Evert J. Baerends
Department of Chemistry
Vrije Universiteit Amsterdam
De Boelelaan 1083
1081 HV Amsterdam
Tel.: +31-20-4-44-7621
Fax: +31-20-4-44-7629
e-mail: baerends@chem.vu.nl
Spain
Jos?M. Lluch
Departamento de Química
Universitat Autònoma de Barcelona
Edifici Cn
08193 Bellaterra (Barcelona)
Tel.: +34-93-5812138
Fax: +34-93-5812920
e-mail: lluch@klingon.uab.es
F. Javier Luque
Departemento Farmacia
Unitat Fisicoquimica
Facultat de Farmacia
Universitat de Barcelona
Avenida Diagonal s/n
08028 Barcelona
Tel.: +34-93-4024557
Fax: +34-93-4035987
e-mail: fjluque@ub.edu
Modesto Orozco
Unitat de Modelitzacio Molecular i Bioinformatica
Institut de Recerca Biomedica
Parc Cientific de Barcelona
Josep Samitier 1-5
08024 Barcelona
Tel.: +34-93-4037156
Fax: +34-93-4037157
e-mail: modesto@mmb.pcb.ub.es
Sweden
Johan Aqvist
Uppsala University
Biomedical Center
Dept. Cell and Molecular Biology
Box 596
751 24 Uppsala
Tel.: +46-18-4714109
Fax: +46-18-536971
e-mail: johan.aqvist@icm.uu.se
Switzerland
Kim K. Baldridge
Institute of Organic Chemistry
University of Zürich
Winterthurerstrasse 190
8057 Zürich
Tel.: +41 44 635 4201
Fax: +41 44 635 6888
e-mail: kimb@oci.uzh.ch
Laura Gagliardi
Department of Physical Chemistry
University of Geneva
30, Quai Ernest Ansermet
1211 Geneva
Tel.: +41 22 37 96957
Fax: +41 22 37 96518
e-mail: laura.gagliardi@chiphy.unige.ch
Markus Reiher
ETH Zürich
Laboratory of Physical Chemistry
Hoenggerberg Campus
Wolfgang-Pauli-Str. 10
8093 Zürich
Tel.: +41 44 63 34308
Fax: +41 44 63 31594
e-mail: markus.reiher@phys.chem.ethz.ch
Taiwan, R.O.C.
Carmay Lim
Institute of Biomedical Sciences
Academia Sinica
Taipei, Taiwan 11529
Tel.: +886-2-2652-3031
Fax: +886-2-2788-7641
e-mail: carmay@gate.sinica.edu.tw
United Kingdom
Jeremy Harvey
School of Chemistry
University of Bristol
Bristol BS8 1TS
Tel.: +44-117-954 6991
Fax: +44-117-925 1295
e-mail: jeremy.harvey@bristol. ac.uk
Michiel Sprik
Department of Chemistry
University of Cambridge
Lensfield Road
Cambridge CB2 1EW
Tel.: +44-01223-336314
e-mail: ms284@cam.ac.uk
USA
Jiali Gao
Department of Chemistry
University of Minnesota
207 Pleasant Street, SE
Minneapolis, MN 55455
Tel.: +1-612-6250769
Fax: +1-612-6267541
e-mail: gao@chem.umn.edu
Bruce C. Garrett
Environmental Molecular Sciences Laboratory
Pacific Northwest National Laboratory
Battelle Boulevard, P.O. Box 999
Mail Stop K8-91
Richland, WA 99352
Tel.: +1-509-3761353
Fax: +1-509-3760420
e-mail: bruce.garrett@pnl.gov
Mark S. Gordon
Department of Chemistry
Iowa State University
Spedding Hall 201
Ames, IA 50011-3111
Tel.: +1-515-2940452
Fax: +1-515-2940105
e-mail: mark@si.fi.ameslab.gov
Todd J. Martinez
Department of Chemistry
Stanford University
333 Campus Drive
Stanford, CA 94305-5080
e-mail: Todd.Martinez@stanford.edu
James A. Miller
Sandia National Laboratories
Combuston Research Facility
MS 9055
Livermore, CA 94551-0969
Fax: +1-925-294-2276
e-mail: jamille@sandia.gov
Marshall D. Newton
Chemistry Division
Brookhaven National Laboratory
Upton, NY 11973
Tel.: +1-631-3444366
Fax: +1-631-3445815
e-mail: Newton@bnl.gov
H. Bernhard Schlegel
Department of Chemistry
Wayne State University
Detroit, MI 48202
Tel.: +1-3l3-5772562
Fax: +1-313-5778822
e-mail: hbs@chem.wayne.edu
Gustavo E. Scuseria
Department of Chemistry
Rice University
P.O. Box 1892
Houston, TX 77005-1892
Tel.: +1-713-3484746
Fax: +1-713-3485155
e-mail: guscus@katzo.rice.edu
J. Ilja Siepmann
Department of Chemical Engineering
and Materials Science
University of Minnesota
117 Pleasant Street S.E.
Minneapolis, MN 55455-0431
Tel.: +1-612-624-1844
Fax: +1-612-626-7541
e-mail: siepmann@chem.umn.edu
Mark E. Tuckerman
Department of Chemistry and Courant
Institute of Mathematical Sciences
New York University
100 Washington Square East
New York, NY 10033
Tel.: +1-212-998-8471
Fax: +1-212-260-7905
e-mail: mark.tuckerman@nyu.edu
Gregory A. Voth
Center for Theoretical Chemistry
Department of Chemistry and
Henry Eyring Center for Theoretical Chemistry
University of Utah
315 S. 1400 E. Rm 2020
Salt Lake City, UT 84112-0850
Tel.: +1-801-5817272
Fax: +1-801-5814353
e-mail: voth@chem.utah.edu
Weitao Yang
Department of Chemistry
Duke University
Durham, NC 27708-0346
Tel.: +1-919-6601562
Fax: +1-919-6601605
e-mail: yang@chem.duke.edu
Xiao Cheng Zeng
Department of Chemistry
University Nebraska-Lincoln
516 Hamilton Hall
Lincoln, NE 68588-0304
Tel.: +1-402-4729894
Fax: +1-402-4729402
e-mail: xczeng@phasela.unl.edu
Chang-Guo Zhan
College of Pharmacy
Dept. Pharmaceutical Sciences
University of Kentucky
725 Rose Street
Lexington, KY 40536-0509
Tel.: +1-859-3233943
Fax: +1-859-3233575
e-mail: zhan@uky.edu
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