期刊名称：INTERNATIONAL JOURNAL OF QUANTUM 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
|
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
A journal devoted to Theory and Computation in Chemistry, Physics, and Molecular Biology.
History of the Journal. Quantum Chemistry has its origin in the study of the covalent bond of the hydrogen molecule by Heitler and London in 1927. This field of study falls between the traditional areas of mathematics, physics, chemistry, and molecular biology. With the advent of computers, Quantum Chemistry rapidly developed into an independent and thriving area of study. The International Journal of Quantum Chemistry was founded by Per-Olov Löwdin to provide a venue dedicated to research in this multidisciplinary field. The Journal has published more than 85 regular and 60 special volumes since its launch in 1967.
Program and Policies. Quantum Chemistry is a discipline concerned with the quantum mechanical description of the structure and dynamics of atoms, molecules, and condensed matter. Quantum Chemistry embodies theoretical studies and computer simulations of atomic and molecular systems and their interactions. The Quantum Chemists have contributed to the progress of new theoretical fields in chemical physics, chemistry, and the material sciences and have in turn been energized by these disciplines. Recent developments in molecular biology also call for new applications where quantum mechanical components interface with molecular mechanics and phenomenological modeling. This interdisciplinary character of research in Quantum Chemistry places it at the intersection of the well-established sciences of physics, chemistry, and biology.
In addition to its mandate to accept original papers with emphasis on basic theory and the application of computational quantum mechanics to atoms, molecules and condensed matter, the Journal wishes to take an active role in promoting interaction between the quantum and statistical mechanical sub-disciplines of chemical physics. Due consideration will be given to reports of investigations that apply quantum based programs to fundamental research and the interpretation of experimental data in the fields of thermodynamics and chemical kinetics.
The Journal accepts original papers with emphasis on formal and computational quantum mechanics and its application to the theory and modeling of the structure and dynamics of atoms, molecules, and condensed matter. There are no page charges. Authors receive 50 complimentary reprints, and additional reprints may be purchased. Standard refereeing procedures are used and - provided the proofs are returned promptly by the authors - papers are published within 6 months after acceptance. The Journal's style follows that of the American Institute of Physics.
The Journal presently publishes 30 issues each year forming five volumes. It regularly publishes the proceedings of the annual Sanibel Symposia, and also proceedings of several other international symposia, such as congresses of the International Academy of Quantum Molecular Science, the International Society of Theoretical Chemical Physics, and the Working Party on Computational Chemistry of the Federation of European Chemical Societies.
The publication policies of the journal are regulated by the working Editors, and an Editorial Board. The members of the Editorial Board serve staggered terms of five years each. There are two Editorial Offices to which manuscripts may be submitted:
Department of Quantum Chemistry
Uppsala University
Box 518
S-751 20 Uppsala
Sweden
or
University of Florida
2301 NP Building #92
P. O. Box 118435
Gainesville, FL 32611-8435
USA
Detailed instructions for the authors may be found at the end of the first issue of each volume of the journal.
Erkki Brändas, Editor
Yngve Öhrn, Editor
Readership
Chemists ¡¤ physicists ¡¤ biologists and pharmacologists in quantum mechanics
|
123
Instructions to Authors
Instructions to Authors
Disk Submission Instructions
Author Submission Guidelines for Supplementary Material
Wiley's Journal Styles and EndNote
Accelerated Publication
Full-length manuscripts reporting new and important findings in quantum chemistry will, after critical review, be considered for accelerated publication. A cover letter requesting "fast track" publication indicating the reasons why the manuscript is deserving of high priority publication should accompany the manuscript upon initial submission. The names, addresses (including e-mail), telephone and fax numbers of six potential reviewers must be included with the submission. Manuscripts for "fast tracking" will be chosen by the Editors, reviewed within three weeks and published within three months from the date of final acceptance.
1. Manuscripts should be submitted online at: http://qua-wiley.manuscriptcentral.com.
At the submission site it is important to check for an existing account. If you are submitting for the first time, and you do not have an existing account, create a new account.
Submit manuscript and all figures as one file if possible. You do not need to mail any paper copies of the manuscript. At the end of a successful submission, a confirmation screen with manuscript number will appear and you will receive an e-mail confirming that the manuscript has been received by the journal. If this does not happen, please check your submission and/or contact tech support at edsupport@wiley.com.
Editorial office contact information: Erkki Brändas Quantum Chemistry Group Uppsala University, Box 518 S-75120 Uppsala, Sweden E-mail: erkki@kvac.uu.se; Yngve Öhrn Quantum Theory Project University of Florida at Gainesville NPB Building #92, P.O. Box 118435 Gainesville, FL 32611-8435, USA E-mail: ohrn@qtp.ufl.edu
All other correspondence should be addressed to the Publisher, c/o John Wiley & Sons, Inc., 111 River Street, Hoboken, NJ 07030.
2. It is the preference of the Editors that papers be published in the English language. However, if the author desires that his paper be published in French or German, it is necessary that a particularly complete and comprehensive synopsis be furnished in English.
3. Copyright: No article can be published unless accompanied by a signed publication agreement, which serves as a transfer of copyright from author to publisher. A publication agreement may be obtained from the editor or publisher. A copy of the publication agreement appears in most issues of the journal. Only original papers will be accepted and copyright in published papers will be vested in the publisher. It is the author's responsibility to obtain written permission to reproduce material that has appeared in another publication. A copy of that agreement, executed and signed by the author, is now required with each manuscript submission. (If the article is a "work made for hire," the agreement must be signed by the employer.)
4. A short synopsis (maximum length 200 words) is required. The synopsis should be a summary of the entire paper, not the conclusions alone. If the paper is written in French or German, a synopsis in English should also be prepared. The paper should be reasonably subdivided into sections and, if necessary, subsections.
5. A list of five key words or phrases for indexing must accompany each submission.
6. All Greek or unusual symbols should be identified in the margin the first time they are used. Please distinguish in the margins of the manuscript between capital and small letters of the alphabet wherever confusion may arise (e.g., k, K,  ). Please underline with a wavy line all vector quantities. Use fractional exponents to avoid root signs.
The nomenclature sponsored by the International Union of Pure and Applied Chemistry is requested for chemical compounds. Unit abbreviations should follow the practices of the American Institute of Physics. Chemical bonds should be correctly placed, and double bonds clearly indicated. Valence is to be indicated by superscript plus and minus signs.
7. Wiley's Journal Styles and EndNote
EndNote is a software product that we recommend to our journal authors to help simplify and streamline the research process. Using EndNote's bibliographic management tools, you can search bibliographic databases, build and organize your reference collection, and then instantly output your bibliography in any Wiley journal style.
Download Reference Style for this Journal: If you already use EndNote, you can download the reference style for this journal.
How to Order: To learn more about EndNote, or to purchase your own copy, click here.
Technical Support: If you need assistance using EndNote, contact endnote@isiresearchsoft.com, or visit www.endnote.com/support.
The references should be numbered consecutively in the order of their appearance and should be complete, including authors' initials and¡ªfor unpublished lectures or symposia¡ªthe title of the paper, the date, and the name of the sponsoring society. Please compile references on a separate sheet at the end of the manuscript. Abbreviations of journal titles should conform to the Bibliographic Guide for Editors & Authors published by the American Chemical Society.
References should be limited to literature citations. Explanatory or supplementary material should be treated either as footnotes to text or appendices. Examples follow.
Journal article:
1. Fletcher, T. R.; Rosenfeld, R. N. J Am Chem Soc 1985, 107, 2203-2212.
Book:
2. Stothers, J. B. Carbon-13 NMR Spectroscopy; Academic: New York, 1972; Chapter 2.
8. A limited number of color figures that are of critical importance and that significantly enhance the presentation will be considered for publication at the publisher's expense. Color separations or transparencies (negatives or positives) are optimal. Color slides are preferable to color prints. Any cropping of the color figure should be clearly indicated. Final decision on publication of color figures will be at the discretion of the Editor.
9. Each table should be supplied on a separate sheet (not interspersed with text). Please supply numbers and titles for all tables. All table columns should have an explanatory heading.
10. Please supply legends for all figures and compile these on a separate sheet.
11. Figures should be professionally prepared and submitted in a form suitable for reproduction. Computer-generated graphs are acceptable only if they have been printed with a good quality laser printer. Artwork is generally reduced so that the type in the figures is about 2.5 mm high. The maximum final size of figures for this journal is 16 ¡Á 21 cm after reduction. Good glossy photographs are required for halftone reproductions. If in doubt about the preparation of illustrations suitable for reproduction, please consult the publisher at the address given in paragraph 1.
To ensure that your digital graphics are suitable for print purposes, please go to Rapid Inspector™ at http://rapidinspector.cadmus.com/wi/index.jsp. This free, stand-alone software application will help you to inspect and verify illustrations right on your computer.
12. Senior authors will receive 50 reprints of their articles without charge. Additional reprints can be ordered and purchased by filling out the form enclosed with the proof.
13. The publisher will do everything possible to ensure prompt publication. It will therefore be appreciated if manuscripts and illustrations conform from the outset to the style of the journal. Contributors should use the Style Manual of the American Institute of Physics; papers will otherwise have to be returned to the author for revision.
Corrected proofs must be sent back to the publisher within two days to avoid the risk of the author's contribution having to be held over to a later issue.
14. Electronic Proofing: In order to expedite the publication and on-line posting of articles in Wiley InterScience, the International Journal of Quantum Chemistry now offers electronic proofing. Corresponding authors with e-mail addresses will be sent page proofs (and paperwork, such as reprint order forms) in pdf format via e-mail. Please follow the instructions in the e-mail; contact names and numbers are given for questions, problems, or if an author wishes to receive a paper proof. A fax cover form with the Production Editor's information is also provided for authors to fax their corrections.
Author Submission Guidelines for Supplementary Material
Supplementary material for articles published in the International Journal of Quantum Chemistry is now available over the Internet. Access is through the World Wide Web. Supplementary material may include (but is not limited to) video clips, large sections of tabular data, program code, or electronic graphical files that are otherwise not suitable for print media. When submitting material for consideration please follow the guidelines below.
Submission of Supplementary Material
Peer review. Supplementary material must be submitted at the time of peer review. Submit a paper copy of the material (in the case of material that exists in electronic form only, please consult the editor to whom you submitted the paper).
Acceptance and electronic submission. Once material has been accepted by the editors, it must be submitted in electronic form on PC or Macintosh 3.5" diskette, or zip disk, or via FTP to ftp.wiley.com (user ID qua password supmatrl; see FTP submission notes below).
All files submitted must be accompanied by a text file named README. The README file should include the following information:
Title of Paper
Authors and their affiliations
Filename, file size, file type
Brief description of material
The data and the README file should be archived together using one of the popular archive protocols such as ZIP, TAR, GZIP, or SIT. If you have more than one piece of supplementary material, you should submit a separate archive for each, with an accompanying README file; however, if it is intended that the multiple files be downloaded as a single unit by the enduser, submit one archive and one README file.
Data file types. There are no restrictions on filetypes of the data that you submit. Please keep in mind, however, that the more universal the filetype the more accessible to the community. The use of popular compression protocols is highly encouraged. If your material is presented in PostScript format, the submission of an accompanying Adobe Acrobat PDF file is encouraged, in that event both formats will be offered to the journal's readers. In cases where PDF files do not accompany a PostScript file, only the Postscript will be offered.
FTP Submission Notes. Submission of accepted material via FTP is encouraged. The FTP address is ftp.wiley.com. When prompted for username enter qua. When prompted for password enter supmatrl. This will lead to a directory reserved for International Journal of Quantum Chemistry uploads. You will not be able to see a listing of the files in this directory, including the ones that you upload.
Please note: The upload area allows upload only and does not allow downloads. When the FTP is complete, alert the publisher via an email to sheila.kaminsky@wiley.com. Include your name and the name(s) of the files that you uploaded.
Publication and Access
Supplementary material for published articles will be made available via the International Journal of Quantum Chemistry World Wide Website (http://journals.wiley.com/qua) to authorized users, i.e., those whose institutions hold full rate subscriptions to the print journal, and have activated online access. From the table of contents listing, any article that has supplementary material will be noted by an icon. The icon will link to the page that describes the material in detail, and to the material itself.
Disk Submission Instructions
Please return your final, revised manuscript on disk as well as hard copy.
The hard copy must match the disk.
The Journal strongly encourages authors to deliver the final, revised version of their accepted manuscripts (text, tables, and, if possible, illustrations) on disk. Given the near-universal use of computer word-processing for manuscript preparation, we anticipate that providing a disk will be convenient for you, and it carries the added advantages of maintaining the integrity of your keystrokes and expediting typesetting. Please return the disk submission slip below with your manuscript and labeled disk(s).
Guidelines for Electronic Submission
Text
Storage medium. 3-1/2" high-density disk in IBM MS-DOS, Windows, or Macintosh format.
Software and format. Microsoft Word 6.0 and LaTeX are preferred, although manuscripts prepared with any other microcomputer word processor and other forms of TeX are acceptable. Refrain from complex formatting; the Publisher will style your manuscript according to the Journal design specifications. Do not use desktop publishing software such as Aldus PageMaker or Quark XPress. If you prepared your manuscript with one of these programs, export the text to a word processing format. Please make sure your word processing program's "fast save" feature is turned off. Please do not deliver files that contain hidden text: for example, do not use your word processor's automated features to create footnotes or reference lists.
File names. Submit the text and tables of each manuscript as a single file. Name each file with your last name (up to eight letters). Text files should be given the three-letter extension that identifies the file format. Macintosh users should maintain the MS-DOS "eight dot three" file-naming convention.
Labels. Label all disks with your name, the file name, and the word processing program and version used.
Illustrations
All print reproduction requires files for full color images to be in a CMYK color space. If possible, ICC or ColorSync profiles of your output device should accompany all digital image submissions.
Storage medium. Submit as separate files from text files, on separate disks or cartridges. If feasible, full color files should be submitted on separate disks from other image files. 3-1/2" high-density disks, CD, Iomega Zip, and 5 1/4" 44- or 88-MB SyQuest cartridges can be submitted. At authors' request, cartridges and disks will be returned after publication.
Software and format. All illustration files should be in TIFF or EPS (with preview) formats. Do not submit native application formats.
Resolution. Journal quality reproduction will require greyscale and color files at resolutions yielding approximately 300 ppi. Bitmapped line art should be submitted at resolutions yielding 600-1200 ppi. These resolutions refer to the output size of the file; if you anticipate that your images will be enlarged or reduced, resolutions should be adjusted accordingly.
File names. Illustration files should be given the 2- or 3-letter extension that identifies the file format used (i.e., .tif, .eps).
Editorial Board
E d i t o r s - i n - C h i e f
|
|
|
F o u n d i n g E d i t o r
Per-Olov Löwdin
|
A s s o c i a t e E d i t o r s
|
|
|
H o n o r a r y E d i t o r s
|
Jerome Karle
Naval Research Laboratory
at Washington, DC, USA
|
Rudy Marcus
California Institute of Technology at
Pasadena, USA
|
John A. Pople
Northwestern University at Evanston, Illinois, USA
|
E d i t o r i a l B o a r d
|
Hirohiko Adachi
Kyoto University, Japan
E-mail: adachi@cms.mtl.kyoto-u.ac.jp
Ioannis Antoniou
Aristotle University of Thessaloniki, Thessaloniki, Greece
E-mail: iantonio@math.auth.gr
Maria J. Barysz
Nicolas Copernicus University, Torun, Poland
E-mail: teomjb@chem.uni.torun.pl
Axel D. Becke
Queen's University, Kingston, Ontario, Canada
E-mail: becke@chem.queensu.ca
Ria Broer
Rijksuniversiteit Groningen, The Netherlands
E-mail: broer@chem.rug.nl
Sylvio Canuto
University of Sao Paolo, Brazil
E-mail: canuto@if.usp.br
Benoit Champagne
FUNDP, Namur, Belgium
E-mail: benoit.champagne@fundp.ac.be
Jiri C¨ªzek
University of Waterloo, Ontario, Canada
E-mail: jcizek@theochem.uwaterloo.ca
Timothy Clark
Universität Erlangen-N¨¹rnberg, Germany
E-mail: clark@chemie.uni-erlangen.de
Enrico Clementi
Como, Italy
E-mail: clementi@fis.unico.it
Rogerio Custodio
Instituto de Quimica, Sao Paulo, Brazil
E-mail: roger@iqm.unicamp.br
Ernest Davidson
University of Washington, USA
E-mail: erdavid@u.washington.edu
Mireille Defranceschi
CEA-FAR
Fontenay aux Roses, France
Email: mireille.defranceschi@ipsn.fr
Wolfgang Domcke
Technical University, M¨¹nchen, Germany
E-mail: domcke@ch.tum.de
Lawrence J. Dunne
South Bank University, London, United Kingdom
E-mail: dunnel@sbu.ac.uk
George G. Hall
University of Nottingham, UK
E-mail: george@geoha.demon.co.uk
N. C. Handy
University of Cambridge, UK
Email: nch1@cam.ac.uk
Frank E. Harris
University of Utah, USA
Email: harris@physics.utah.edu
Martin Head-Gordon
University of California at Berkeley, USA
E-mail: mhg@cchem.berkeley.edu
Trygve Helgaker
University of Oslo, Norway
E-mail: trygve.helgaker@kjemi.uio.no
Eugene S. Kryachko
Academy of Sciences of Ukraine
Kiev, Ukraine
E-mail: eugene.kryachko@chem.kuleuven.ac.be
Aatto Laaksonen
Stockholm University, Sweden
E-mail: aatto@phys.su.se
Janos Ladik
University Erlangen-N¨¹rnberg, Germany
E-mail: Janos.Ladik@chemie.uni-erlangen.de
Norman H. March
University of Antwerp, Belgium
E-mail: norman.march@ua.ac.be
|
Roy McWeeny
Universit¨¤ di Pisa, Italy
E-mail: roy@ibm550.icqem.pi.it
Kenneth M. Merz Jr.
Pennsylvania State University, USA
E-mail: merz@psu.edu
John Mintmire
Oklahoma State University, USA
Email: mintmir@okstate.edu
Saburo Nagakura
Graduate University for Advanced Studies,
Yokohama, Japan
E-mail: kast~sec@net.ksp.or.jp
Lars Nordstrom
Uppsala University, Sweden
E-mail: lars.nordstrom@fysik.uu.se
Jeppe Olsen
Aarhus University, Denmark
Email: jeppe@chem.au.dk
J. V. Ortiz
Kansas State University at Manhattan, USA
E-mail: ortiz@ksu.edu
Josef Paldus
University of Waterloo, Ontario, Canada
E-mail: paldus@theochem.uwaterloo.ca
Robert G. Parr
University of North Carolina at Chapel Hill, USA
E-mail: rgparr@net.chem.unc.edu
Ruben Pauncz
Technion, Haifa, Israel
E-mail: chr07pa@tx.technion.ac.il
Leo Radom
Australian National University, Australia
E-mail: radom@rsc.anu.edu.au
Sten Rettrup
Copenhagen University, Denmark
E-mail: sten@k14ibm.ki.ku.dk
Ursula Röthlisberger
Institut de Chimie Mol¨¦culaire et Biologique
Lausanne, Switzerland
E-mail: ursula.roethlisberger@epfl.ch
Theodore E. Simos
University of Peloponnese, Tripolis, Greece
E-mail: tsimos@mail.ariadne-t.g
Vedene Smith
Queens University
Kingston, Ontario, Canada
E-mail: vhsmith@chem.queensu.ca
John F. Stanton
The University of Texas at Austin, USA
E-mail: stanton@jfls.cm.utexas.edu
Peter Szalay
Eötvös Lorand University
Budapest, Hungary
E-mail: szalay@para.chem.elte.hu
Alia V. Tadjer
University of Sofia, Bulgaria
Email: tadjer@chem.uni-sofia.bg
Paul von Ragu¨¦ Schleyer
University of Georgia at Athens, USA
E-mail: schleyer@chem.uga.edu
Gregory A. Voth
University of Utah at Salt Lake City, USA
E-mail: voth@chemistry.chem.utah.edu
Robert E. Wyatt
The University of Texas at Austin, USA
E-mail: wyatt@lanczos.cm.utexas.edu
Weitao Yang
Duke University
Durham, North Carolina, USA
Email: yang@chem.duke.edu
Rudolf Zahradn¨ªk
Czech Academy of Sciences,
Prague, Czech Republic
E-mail: accounc@kav.cas.cz
| |
J o u r n a l P r o d u c t i o n
|
|
John Wiley & Sons, Inc.
Carol Ann McNelis
International Journal of Quantum Chemistry
|
|
刊名字顺( Alphabetical List of Journals):
返回页首 