期刊名称：JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
 期刊简介(About the journal)
投稿须知(Instructions to Authors)
编辑部信息(Editorial Board)
About the journal
The Journal of Theoretical and Computational Chemistry (JTCC) is an international interdisciplinary journal, aimed at providing comprehensive coverage on the latest developments of research in the ever-expanding area of theoretical and computational chemistry and their applications to broad scientific fields spanning physics, chemistry, biology, materials, and so on.
With the proliferation of sub-fields in the application of theoretical chemistry and the explosion of applications in various scientific fields, it is difficult these days for us to keep up with all the new research developments in these cross-disciplinary fields. We hope this journal will serve as a major single source of information on the latest research that can be broadly defined to be in the general area of theoretical and computational chemistry.
The journal publishes original contributions on broad aspects: from both the development of fundamental theoretical methodology and computational algorithm to extensive numerical applications to specific scientific problems ranging from gas-phase to condensed phase, and to biological systems. It covers general research areas broadly defined as quantum chemistry, chemical dynamics, statistical mechanics, and chemical biology.
JTCC will publish two issues in the first year (2002) and four issues in the second year (2003).
Instructions to Authors
For Authors: Guidelines for Contributors
1. General Information
1.1. Manuscripts are accepted for review with the understanding that the same work has not been published, and that it is not under consideration for publication elsewhere. For details of how to prepare manuscripts, please see Typing Instructions below.
1.2. Upon acceptance, authors will be asked to complete a Copyright Transfer Form which is available on the journal web page.
1.3. Authors will receive page proofs for their approval. Authors must avoid making extensive corrections to proofs and this is expensive and leads to delay in production.
1.4. Twenty-five free offprints will be given to authors. Also, they can place an order for additional offprints by completing and faxing an Offprint Request Form to the Publisher.
2. Types of Articles
JTCC accepts two types of articles for publication: (1) Research articles, and (2) Topical reviews.
Research articles are regular articles submitted by individual authors and are fully reviewed before being accepted for publication. Research articles touch upon subjects broadly defined in the following areas:
¡¤ Theoretical Methods and Computational Algorithms
¡¤ Gas Phase Systems
¡¤ Condensed Phase Systems
¡¤ Biological Systems
Topical reviews. The review article should include two components: i) review of basic theories and algorithms aimed at non-experts; and ii) up-to-date account of the latest research results and trend in the field aimed at experts. An average of 3 to 4 review articles are published in each issue. Submission of review article is by invitation only.
3. Refereeing Process
Refereeing: All articles, including invited ones, will go through the same refereeing process. First, an Editor (Executive Editor or Advisory Editor who is being asked either by the Editor-in-Chief or the subject specific Executive Editor) who shall carry out the refereeing process, will handle the article. During this process, this Editor will communicate with the Author and Referees via email. The Editor has the right to reject the paper.
Acceptance: When the refereeing process is done, the Editor reports the result to the subject specific Executive Editor who arranged the review. The Executive editor will review the refereeing report and make a recommendation either to accept or reject the paper based on the Editor's report. In the case of proposed acceptance of the paper, the subject specific Executive Editor will forward his recommendation to the Editor-in-Chief who will make a final decision and forward the acceptance to the Publisher.
Appealing: If a paper is initially rejected, the author has the right to request a second review by a different referee. It is also possible for the author to appeal against the decision. The appeal should be submitted to one of the Executive Editors and a copy has to be submitted to the Editor-in-Chief. The final decision whether to accept the paper will be made by the Editor-in-Chief in consultation with the other Editors.
4. Submission Process
4.1. It is strongly recommended that new manuscripts be submitted electronically. If electronic submission is not possible, the author can submit manuscript by airmail. In the latter case, 3 copies of the manuscript should be sent to the Editor-in-Chief.
Electronic submissions
Web-based Submission Manuscripts can also be sent to the publisher via Web-based submission.
Authors can submit a PDF file to the following ftp site. Postscripts files can also be accepted; however, they may create some problems, and if so, the publication time may be increased. We encourage authors to also attach the Latex2e, Latex2.09, REVTeX, or Word file of the manuscript, which can be useful when minor problems occur in the manuscript.
ftp://ftp.wspc.com.sg/incoming/JTCC
Electronic submissions via email. Authors may send a PDF file via email to the Editor-in-Chief, John Zhang (john.zhang@nyu.edu) if the file does not exceed 2MB.
Hard copy submissions (3 copies) together with floppy disk(s) (PC or Mac) or ZIP disk (PC or Mac) should be sent by mail to:
Editor-in-Chief
John Zhang
Department of Chemistry
New York University
New York, NY 10003, USA
Hard copy submissions should be accompanied by a covering letter stating the following:
- title of article;
- name(s) of author(s);
- type of paper;
- the corresponding author's email.
4.2. When a paper has been accepted for publication, the Publisher will request the author to submit his/her final text files and all the necessary figure files prepared based on the Typing Instructions below and submit the final manuscript to the URL address shown above.
4.3. Authors should ensure that the correct file names and macro definitions are included in their submissions. Use separate files for the main text and for each illustration or image. Example: Smith.tex; Smith_Fig1.eps; Smith_Fig2a.eps; Smith_Fig2b.eps; etc. They should also ensure that the text on hard copy is identical to that in the soft copy.
Digital submission in CD-ROM, zip disk. Please provide the following information on the submission:
- Operating system (Unix/Linux, Windows, etc.)
- Drawing program (Adobe Illustrator, Freehand, etc.)
- Image processing program (Photoshop, etc.)
- Word processing program (Microsoft Word '97 (Windows), etc.)
- Compression program (zip, tar, gzip)
5. Typing Instructions
5.1. The manuscript, including the abstract, references, and captions, should be neatly typed in English, doubled-spaced with a 12-point font, on one side of an A4 sized paper (21.6 ¡Á 28-cm or 8.5 by 11-in). Pages should be numbered in succession, the title being page 1. The title page should include only: I ) the article title; ii) the authors' names and their affiliations; iii) the corresponding author's email address; iv) the running title, not exceeding 45 letters and spaces.
The text may be prepared using any of the following word processing software: Latex2e, Latex2.09, RevTeX, AmsTeX, Word for Windows.
5.2. Abstract and Keywords. The abstract should be self-contained (contains no footnotes) and should not exceed 250 words. Select about three to five keywords that do not duplicate words in the title. Composite words can be selected and will be counted as one keyword. Do not abbreviate keywords.
5.3. Equations. Displayed equations should be numbered consecutively, with the equation number flushed (i.e. right-justified) and enclosed in parentheses. Equations should be referred in the text as Eq. (x), where x is the equation number. In multiple-line equations, the number should be given on the last line. Please ensure that the equations are numbered correctly, without repetition, and that no important equations are omitted from the numbering scheme. Mathematical operation signs indicating continuity of the expression should be placed at the left hand of the second and succeeding lines. Use ¡Á rather than a centered dot, except for scalar products of vectors. The solidus (/) should be used instead of built-up fractions in running text. Use "exp" for complicated exponents.
¡¤ Notation must be clear, legible and consistent with standard usage. Superscripts are usually set directly over subscripts.
¡¤ Tables should be typed neatly, each on a separate sheet, with title above and any notes below. Explain all abbreviations. Tables should be numbered in the order of their appearance by Roman numerals. The units of measure must be indicated clearly in the column headings of the table. If the unit of measure is the same for all data in a table, it may be given in the table title or in a footnote to be printed directly below the table.
5.4. Illustrations. Authors must submit high quality (publication quality) hardcopies of all illustrations. Upon acceptance of their papers, authors are strongly encouraged to send electronic graphics files to the Publisher.
¡¤ Illustrations must be clear and unfolded, and their print quality must be even and dark enough for reproduction. It is usually sufficient that the figures be generated using modern graphic software, then laser-printed. Black and white photographs are strongly preferred and must be sharp. Do not mount photos but submit these on separate sheets (identified on the back with the author's name and with the top plainly marked.).
¡¤ Please avoid mounting figures using adhesive tapes. If a tape is absolutely necessary, then ensure that it does not cover any typeset lettering, especially the annotations and other text near the figures.
¡¤ Captions should be set below figure, and sequentially numbered using Arabic numerals.
¡¤ If a figure has been published previously, acknowledge its source and submit written permission signed by author and publisher concerned. The source must be included in the reference list. If permission fee is required, it must be paid for by the author. The authors are fully responsible as the publisher has no way of finding out just by checking the manuscript.
¡¤ Line drawings. Please submit high-quality glossy prints. The height and thickness of letters in illustrations must be legible when the figures are reduced (if necessary).
¡¤ All photos, graphs, illustrations and diagrams are referred to as "figures" and the abbreviation "Fig." (or "Figs.") is used in the text. (Where the word "Figure" begins a sentence, it should be spelt in full.)
Submission of Electronic Graphics Files
Graphics must be submitted as PostScript, EPS (using Arial, Helvetica or Times Roman fonts), or TIFF, JPG, GIF and BMP files. If the files are large, please compress them using zip, tar or gzip.
Color illustrations must be CMYK (Cyan, Magenta, Yellow, Black) in Tif format. RGB is not accepted for color processing and reproduction. Do not use color if an illustration is to be reproduced in black and white, as clarity and definitions will be lost in the conversion of colors into gray tones. Line art/graphics exported from a drawing program should be saved in EPS format. Use patterns instead of colors to fill spreadsheet graphics because shading reproduces poorly in black and white.
5.5. References. A complete list of references numbered consecutively in order of first appearance and indicated by superscript numerals in the text, should be provided. Reference should be made to the full list of authors rather than the first author followed by et al. Within tables, references should be designated by lower case Roman letter superscripts and given at the end of the table.
Journal reference:
M. Binggeli, R. Christoph and H.-E. Hintermann, "Friction force measurements on potential controlled graphite in an electrolyte environment," Nanotechnology 4, 59-63 (1993).
Q. Qian, R.C. Davidson and C. Chen, "Halo formation induced by density nonuniformaities in intense ion beams," Phys. Rev. E51, 5216 (1995).
Note: In journal reference, you have the option to either include titles of the articles you cite as in the above or not include them such as
Q. Qian, R.C. Davidson and C. Chen, Phys. Rev. E51, 5216 (1995).
Book references:
D. Bohm, Wholeness and the Implicate Order (Routledge, London, 1980).
E.D. Lipson and B.A. Horowitz, "Photosensory reception and transduction," in Sensory Reception and Signal Transduction, eds. J.L. Spudich and B.H. Satir (John Wiley, New York, 1991).
Detailed instructions for preparation of manuscripts are available in: Latex2e (readme / Download)
Editorial Board
Editor-in-Chief
John Zeng Hui Zhang
Department of Chemistry
New York University
New York, NY 10003
USA
Tel: +1 212-998-8412
Fax: +1 212-260-7905
E-mail: john.zhang@nyu.edu
Executive Editors
Tucker Carrington, Jr
D¨¦partement de chimie
Universit¨¦ de Montr¨¦al
C.P. 6128, succursale Centre-ville
Montr¨¦al, Qu¨¦bec H3C 3J7
Canada
Tel: (514) 343-2123
Fax: (514) 343-7586
E-mail: Tucker.Carrington@umontreal.ca
Hiroki Nakamura
Department of Theoretical Studies
Institute for Molecular Science
Myodaiji, Okazaki 444-8585
Japan
Tel: +81 564-55-7310
Fax: +81 564-53-4660
E-mail: nakamura@ims.ac.jp
Steven D Schwartz
Departments of Biophysics and of Biochemistry
Albert Einstein College of Medicine
1300 Morris Park Ave.
Bronx, NY 10461
USA
Tel: +1 718 430 2139
Fax: +1 718 430 8819
E-mail: sschwartz@aecom.yu.edu
Weitao Yang
Department of Chemistry
Duke University
Box 90354
Durham, NC 27708-0354
USA
Tel: +1 919 660-1562
Fax: +1 919 660-1605
E-mail: yang@chem.duke.edu
Advisory Editors
David Coker (Boston University, USA) (Stat. Mech.)
Vincenzo Fiorentini (Univ. Cagliari, Cittadella Univ., Italy) (Material)
Jialie Gao (University of Minnesota, USA) (Q. Chem/Bio)
Hua Guo (University of New Mexico, USA) (Dynamics)
Martin Head-Gordon (UC Berkeley, USA) (Q. Chem)
Jan Hermans (University of North Carolina, USA) (Bio/Protein)
Kimihiko Hirao (Tokyo University, Japan) (Q. Chem)
Fumio Hirata (Institute of Molecular Science, Japan) (Stat. Mech.)
Yuan Sheng Jiang (Nanjing University, China) (Q. Chem)
Donald J Kouri (University of Houston, USA) (Dynamics/Appl. Math.)
Claude Leforestier (University of Science and Technology, Languedoc, France) (Dynamics)
Haiyan Liu (University of Science and Technology, China) (Bio)
S H Lin (IAMS, Taiwan) (Laser/Nonlinear Optics)
William H Miller (University of California, Berkeley, USA) (Dynamics)
Ursula Roethlisberger (ETH Zurich, Switzerland) (Bio)
N Sathyamurthy (Indian Institute of Technology, India) (Dynamics)
Jeremy Schofield (University of Toronto, Canada) (Protein Dynamics)
Mark Tuckerman (New York University, USA) (Stat. Mech./MD)
A J C Varandas (Universidade de Coimbra, Portugal)
Zhengang Wang (California Institute of Technology, USA) (Stat. Mech.)
Yundong Wu (HKUST, Hong Kong) (Q. Chem)
Daiqian Xie (Sichuan University, China) (Q. Chem/Dynamics)
David R Yarkony (Johns Hopkins University, USA) (Q. Chem/Nonadiabatic)
Dong Hui Zhang (National University of Singapore, Singapore) (Q. Dynamics)
Qian Er Zhang (Xiamen University, China) (Q. Chem)
Yijing Yan (HKUST, Hong Kong) (Cond. Phase Dynamics)
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