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期刊名称:MOLECULAR PHYSICS

ISSN:0026-8976
版本:SCI-CDE
出版频率:Semimonthly
出版社:TAYLOR & FRANCIS LTD, 4 PARK SQUARE, MILTON PARK, ABINGDON, ENGLAND, OX14 4RN
  出版社网址:http://www.tandf.co.uk/
期刊网址:http://www.tandf.co.uk/journals/tf/00268976.html
影响因子:1.478(2008)
主题范畴:PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

期刊简介(About the journal)    投稿须知(Instructions to Authors)    编辑部信息(Editorial Board)   



About the journal

Molecular Physics

Molecular Physics is a well-established international journal containing original research papers on chemical physics. The journal considers all aspects of the physics and biophysics of molecules, particularly the structure and dynamics of individual molecules and molecular assemblies. The journal also publishes papers on fundamental reaction kinetics and the structure and reactivity of molecules adsorbed on surfaces and at interfaces. Contributions are full papers, preliminary communications, research notes or review articles.

 Cover


Instructions to Authors

Click here to check your article status

***Note to Authors: please make sure your contact address information is clearly visible on the outside of all packages you are sending to Editors.***

General Guidelines

Molecular Physics is a well-established international journal containing original research papers on chemical physics. The journal considers all aspects of the physics and biophysics of molecules, particularly the structure and dynamics of individual molecules and molecular assemblies. The journal also publishes papers on fundamental reaction kinetics and the structure and reactivity of molecules adsorbed on surfaces and at interfaces. Contributions are full papers, preliminary communications, research notes or review articles.

Readership

Research workers in university departments and research institutions in physical chemistry, theoretical chemistry, spectroscopy, chemical physics, biophysics and applied mathematics.

Contacting the Editors:

Three copies of the manuscript for consideration should be sent to any of the Editors below.

H F Schaefer III (Chair), Center for Computational Quantum Chemistry, University of Georgia, Athens, GA 30602, USA Fax; (1) 706 542 0506, email; hfsii@uga.cc.uga.edu

N C Handy, Department of Chemistry, University of Cambridge, Cambridge CB2 1EW. Fax; (44) (0)1223 336362, email; nch1@cus.cam.ac.uk

I Mills, Department of Chemistry, University of Reading, Reading RG6 2AD. Fax; (44) (0)118 9316331, email; i.m.mills@rdg.ac.uk

A Bauder, Laboratorium f黵 Physikalische Chemie Eidgen鰏sische Technische Hochschule Z黵ich ETH-H鰊ggerberg, HCI CH-8093 Z黵ich, Switzerland. Fax; (41)(0)1 632 1021, email; alfred.bauder@ethz.ch

Please read these Guidelines with care and attention: failure to follow them may result in your paper being delayed. Note especially the referencing conventions used by Molecular Physics.

Molecular Physics considers all manuscripts on condition they are the property (copyright) of the submitting author(s) and that copyright will be transferred to Molecular Physics and Taylor & Francis Ltd if the paper is accepted.

Molecular Physics considers all manuscripts on the strict condition that they have been submitted only to Molecular Physics, that they have not been published already, nor are they under consideration for publication, nor in press elsewhere. Authors who fail to adhere to this condition will be charged all costs which Molecular Physics incurs, and their papers will not be published.

  • Please write clearly and concisely, stating your objectives clearly and defining your terms. Your arguments should be substantiated with well-reasoned supporting evidence.
  • For all manuscripts, non-discriminatory language is mandatory. Sexist or racist terms should not be used.
  • In writing your paper, you are encouraged to review articles in the area you are addressing which have been previously published in the journal, and where you feel appropriate, to reference them. This will enhance context, coherence, and continuity for our readers.
  • New submissions should be sent in triplicate.
  • Manuscripts should be typed on one single side of A4 or 8 x 11 inch white good quality paper, double-spaced throughout, including the reference section.
  • Manuscripts should be compiled in the following order; title page; abstract; main text; acknowledgements; appendices (as appropriate); references; table with captions (on individual sheets); figure captions (as a list).
  • Abstracts of around 200 words are required for all papers submitted and should precede the text of a paper.
  • Authors should include telephone and fax numbers as well as e-mail addresses on the cover page of manuscripts.
  • Section headings should be concise and numbered sequentially, using a decimal system for subsections.
  • Accepted manuscripts in their final, revised versions, must also be submitted as electronic word processing files on disk or via file transfer protocol; see 'A Guide to Electronic Processing'.
  • Generally, the Journal prints only a small number of colour pages within its annual page allowance. Authors who propose publishing figures in colour should consult Taylor & Francis to agree a financial contribution to additional colour reproduction costs. Figures which appear in black-and-white in the print edition of Dynamical Systems & Applications will appear in colour in the online edition, assuming colour originals are supplied.
  • Accepted manuscripts in their final, revised versions, may also be submitted as electronic word processing files on disk - see 'Electronic Processing'.

Copyright permission

Contributors are required to secure permission for the reproduction of any figure, table, or extensive (more than fifty word) extract from the text, from a source which is copyrighted - or owned - by a party other than Taylor & Francis or the contributor.

This applies both to direct reproduction or 'derivative reproduction' - when the contributor has created a new figure or table which derives substantially from a copyrighted source.

It is essential that you adhere to convention regarding product names. Product manufacturers often require that product names are trademarked, even if the product name has become a commonplace term. For example, let us assume the Taylor & Francis product 'preview' has been trademarked by Taylor & Francis. We should require you as author to print the name as preview ? and state the following as a footnote:

This article includes a word which is or is asserted to be a proprietary term or trade mark. Its inclusion does not imply it has acquired for legal purposes a non-proprietary or general significance, nor is any other judgement implied concerning its legal status.

Abstracts

Structured abstracts are required for all papers, and should be submitted as detailed below, following the title and author's name and address, preceding the main text.

For papers state the primary objective;i the reasoning behind your literature selection; and the way you critically analyse the literature; state the main outcomes and results of your review; and state the conclusions that might be drawn, including their implications for further research or application/practice.

Abstracts should not exceed 200 words.

Mathematics

Special care should be taken with mathematics in manuscripts, especially subscripts and superscripts and differentiation between the letter 'ell' and the figure one, and the letter 'oh 'and the figure zero.

In the unlikely event your keyboard does not have the characters you need, it is preferable to use longhand, in which case it is important to differentiate between capital and small letters, K, k and x and other similar groups of letters. Special symbols should be highlighted in the text and explained in the margin. In some cases it is helpful to supply annotated lists of symbols for the guidance of the sub-editor and the typesetter, and/or a 'Nomenclature' following the abstract.

For simple fractions in the text, the solidus / should be used instead of a horizontal line, care being taken to insert parentheses where necessary to avoid ambiguity, for example, I /(n-1). Exceptions are the proper fractions available as single type on a keyboard.

Full formulae or equations should be displayed, that is, written on a separate line. Horizontal lines are preferable to solidi.

The solidus is never used for units: ms-1 not m/s, but note electrons/s, counts/channel, etc.

Displayed equations referred to in the text should be numbered serially on the right hand side of the page. Short expressions not referred to by any number will usually be incorporated in the text, but are discouraged.

In-text references should be in the form '?as shown in equation (2) ?

Symbols should not be underlined to indicate fonts except for tensors, vectors and matrices, which are indicated with a wavy line in the manuscript (not with a straight arrow or arrow above) and rendered in heavy type in print: upright sans serif r (tensor), sloping serif r (vector) upright serif r (matrix).

Typographical requirements must be clearly indicated at their first occurrence, e.g. Greek, Roman, script, sans serif, bold, italic. Authors will be charged for corrections at proof stage resulting from a failure to do so.

Braces, brackets and parentheses are used in the order {[( )]}, except where mathematical convention dictates otherwise (i.e. square brackets for commutators and anticommutators)

Units

Authors must adhere to SI units. Please note the following style conventions.

Tables and figures

Artwork submitted for publication will not be returned and will be destroyed after publication, unless you request otherwise. Whilst every care is taken of artwork, neither the Editor nor Taylor & Francis shall bear any responsibility or liability for non-return, loss, or damage of artwork, nor for any associated costs or compensation. You are strongly advised to insure appropriately.

Illustrations are as important as the text, and should be as simple, relevant and clear as possible. A potential reader, after reading the title, often glances next at the figures, and their main purpose should be evident from the legend beneath the figure and the words used in labelling the parts of diagrams and the axes of graphs without reference to the text.

Black-and-white photographs should have adequate contrast. Colour illustrations can be printed if they are necessary to convey the scientific content of the illustration.

Labelling of axes of graphs should be in words, whenever possible, and the dimensionless numbers on the axes should be those obtained by dividing the quantities measured by the units employed. For example, the numbers relating to density should be labelled Density/(kg M-3) , and numbers relating to temperature in degrees celsius should be labelled temperature 癈.

Please use different line thicknesses for emphasis; for example, thinner lines for axes of graphs and thicker lines for curves. Use different data points and lines, dashed or dotted, when more than one curve appears in a graph, and identify their meaning in the legend or by labelling, legends should explain any abbreviations used in the figures.

1. Tables and figures should be valuable, relevant, and visually attractive. Tables and figures must be referred to in the text and numbered in order of their appearance. Each table and figure should have a complete, descriptive title; and each table column an appropriate heading.

Tables and figures should be referred to in text as follows: figure 1, table 1, i.e. lower case. 'As seen in table [or figure] 1 ...' (not Tab., fig. or Fig).

2. The place at which a table or figure is to be inserted in the printed text should be indicated clearly on a manuscript:

[Insert table 2 about here ]

3. Each table and/or figure must have a title that explains its purpose without reference to the text.

4. All figures and tables must be on separate sheets and not embedded in the text. Original copies of figures should be supplied. All figures should allow for reduction to column width (85mm) or page width (180mm). Please avoid figures that would require landscape reproduction, i.e., reading from bottom to top of the page. Photographs may be sent as glossy prints or negatives.

Please number each figure on the reverse in pencil.

Do not type the caption to a figure on that figure; the legends to any illustrations must be typed separately following the main text and should be grouped together.

Style

All authors are asked to take account of the diverse audience of Molecular Physics. Clearly explain -- or avoid the use of -- terms that might be meaningful only to a local or national audience.

Some specific points of style for the text of articles, essay reviews, and reviews follow:

1. We prefer US to 'American', USA to 'United States', and UK to 'United Kingdom'.

2. We use conservative (British, not US, spelling, i.e. colour not color; behaviour (behavioural) not behavior; [school] programme not program; [he] practises not practices; centre not center; organization not organisation; analyse not analyze, etc.

3. Single 'quotes' are used for quotations rather than double "quotes", unless the 'quote is "within" another quote'.

4. Punctuation should follow the British style, e.g. 'quotes precede punctuation'.

5. Punctuation of common abbreviations should follow the following conventions: e.g. i.e. cf. Note that such abbreviations are not followed by a comma or a (double) point/period.

6. Dashes (M-dash) should be clearly indicated in manuscripts by way of either a clear dash ( - ) or a triple hyphen (---) (N-dash) should be indicated by a clear dash (-) or a double hyphen (--).

7. We are sparing in our use of the upper case in headings and references, e.g. only the first word in paper titles and all subheads is in upper case; titles of papers from journals in the references and other places are not in upper case.

8. Apostrophes should be used sparingly. Thus, decades should be referred to as follows: 'The 1980s [not the 1980's] saw ...'. Possessives associated with acronyms (e.g. PA), should be written as follows: 'The APU's findings that ...', but, NB, the plural is APUs.

9. All acronyms for national agencies, examinations, etc., should be spelled out the first time they are introduced in text or references.

10. Brief biographical details of significant national figures should be outlined in the text unless it is quite clear that the person concerned would be known internationally.

11. The preferred local (national) usage for ethnic and other minorities should be used in all papers. For the USA, 'African-American', 'Hispanic' and 'Native American' are used, e.g. 'The African American presidential candidate, Jesse Jackson...'; for the UK, 'Afro-Caribbean' (not 'West Indian'), etc.

12. Material to be emphasized (italicized in the printed version) should be underlined in the typescript rather than italicized. Please use such emphasis sparingly.

13. When using a word which is or is asserted to be a proprietary term or trade mark authors' must use the symbol ?or TM or alternatively a footnote can be inserted using the wording below:

This article includes a word which is or is asserted to be a proprietary term or trade mark. Its inclusion does not imply it has acquired for legal purposes a non-proprietary or general significance, nor is any other judgement implied concerning its legal status.

Essay reviews

References to the book being reviewed are included at the top of the first page of the essay review using the following conventions, i.e. for an essay review entitled, "Electron microscopy for beginners" the footnote should read:

The Principles and Practice of Electron Microscopy: 2nd edition. By IAN M. WATT, 1996. Pp. x + 484.$44.95 (pbk), Cambridge University Press, ISBN 0 521 43591 9. Scope: textbook. Level: non-specialist.

A footnote on the reviewer(s) follows using the following.

Dr R. Thurstans is in the Department of Chemistry and Physics, De Montfort University, Leicester, LE1 9BH, UK.

Book reviews

1. The following header material should appear in all reviews in the following order (note also the punctuation):

Mary-Body Tree Methods in Physics. By S. PFALZNER and P. GIBBON, 1996, US$49.95, ?5.00 (hbk), pp. ix + 168. Cambridge University Press, ISBN 0 521 49564 4. Scope: monograph. Level: postgraduate and specialist.

2. Page references within reviews should be given as follows: (p. 337) or (pp. 36-37).

Acknowledgements

Any acknowledgements authors wish to make should be included at the end of the manuscript. Please do not incorporate these into the reference list.

Citations in text

References should be cited using the numerical system (e.g. [3], [5-9]). They should be listed separately at the end of the paper in the order in which they appear in the text. 'Ibid.' (and the like) are not used when repeating citations. Please do not include notes to the text in the reference list.

References

Molecular Physics uses the following conventions for references:

1. Reference to a book:

Gorrod, J. W, 1978, Biological Oxidation of Nitrogen (North Holland and New York: Elsevier Biomedical Press).

2. Reference to a chapter in a book

Powell, G. M., 1988, Alternatives to whole animals in contemporary physics research. In Metabolism of Xenobiotics, edited by J. W. Gorrod, H. Oelschlager and J. Caldwell (London: Taylor & Francis), pp. 77-284.

3. Reference to an article in a journal:

Monteith, D. K., Michalopoulos, G., and Strom, S. C., 1990, Molec. Phys., 20, 753- 763.

4. Proceedings, reports and unpublished literature

Meunier, J., 1987, Physics of Amphiphlic Layers, Springer Proceedings in Physics, Vol 21, edited by J. Meunier, D. Langevin and N. Boccara (Berlin: Springer), pp. 405-408.

Ogawa, T., Nakashima, Y., Nakasato, A., Kumazawa, Y., Kawase, M., Tsuchida, K., and Sota, K., 1987, Synthesis and antihypertensive effect of the metabolises of 2,6-dimethyl 4- (3- nitrophenyl)-1, 4-dihydropyridine-3, 5-dicarboxylic acid 3-(2-nitroxypropyl) ester 5-(3- ni-troxypropyl) ester (CD-349). Presented at the Japanese-United States Congress of Pharmaceutical Sciences. 2-7 December, Honolulu, Hawaii.

Rutten, Ph.D, W. M., 1992, Ph.D thesis, Technische Universiteit Delft.

5. Reference to an Internet source

Give the universal resource locator in full:

http://www.acsinfo.acs.org/instruct/instruct.html

6. Reference to a personal communication

Brannen, J., 1996, personal communication.

Electronic Processing

It is essential that authors provide the final, revised version of an accepted manuscript in hard (paper) and electronic forms.

Normally we receive and process electronic versions on disk, but if you would like to employ our file transfer protocol (FTP) facility, please contact Taylor & Francis Ltd at the address or email given below.

This Guide sets out the procedures which will assure we can process your article efficiently. It is divided into three sections:

  • a guide for authors using standard word-processing software packages
  • a guide for authors using LaTeX mathematical software packages
  • a guide for authors using graphics software packages

There are some general rules which apply to all three options.

  • these guides do not apply to authors who are submitting an article for consideration and peer review; they apply only to authors whose articles have been reviewed, revised, and accepted for publication
  • print out your hard (paper) copy from the disk you are sending; it is essential that the hard-copy printout is identical to the material on the disk; where versions differ, the hard copy will take precedence. We advise that you maintain back-ups of your files
  • save and send your files on a standard 3.5 inch high density disk (Mac or PC); please do not attempt to send the article via file transfer protocol or email
  • when saving your article onto a disk, please make sure that the files do not exceed a manageable size. Please ensure that figures are saved on a separate disk
  • ensure that the files are not saved as read only
  • virus-check your disk before sending it to the Editor
  • label your disk
  • package disks in such a way as to avoid damage in the post

Disks are not returnable after publication

A guide for authors using standard word-processing software packages

For the main text of your article, most standard PC or Mac word-processing software packages are acceptable, although we prefer Microsoft Word in a PC format.

Word-processed files should be prepared according to the journal style.

Avoid the use of embedded footnotes. For numbered tables, use the table function provided with the word-processing package.

All text should be saved in one file with the complete text (including the title page, abstract, all sections of the body of the paper, references), followed by numbered tables and the figure captions.

You should send the following to the Editor:

  • a 3.5-inch disk containing the final, accepted version of the paper
  • include an ASCII/text only version on the disk as well as the word processed version if possible
  • two hard copy printouts

Disks should be clearly labelled with the following information:

1. Journal title
2. Name of author
3. File names contained on disk
4. Hardware used (PC or Mac)
5. Software used (name and version)

Sample disk label: text

Journal title

A.N. Author

article.doc

IBM PC

MS Word for Windows 7.0

A guide for authors using LaTeX mathematical software packages

Authors who wish to prepare their articles using the LaTeX document preparation system are advised to use article.sty (for LaTex 2.09) or article.cls (for LaTex2e).

The use of macros should be kept to an absolute minimum but if any are used they should be gathered together in the file, just before the \begin{document} command

You should send the following to the Editor:

  • a 3.5-inch disk containing the final, accepted version of the paper
  • the files you send must be text-only (often called an ASCII file), with no system-dependent control codes
  • two hard copy printouts

Disks should be clearly labelled with the following information:

1. Journal title
2. Name of author
3. File names contained on disk
4. Hardware used (PC or Mac)
5. Software used (name and version)

Sample disk label: LaTeX

Journal title

A.N. Author

article.tex
article.sty

IBM PC

PCLaTeX v2.09

A guide for authors using graphics software packages

We welcome figures on disk, but care and attention to these guidelines is essential, as importing graphics packages can often be problematic.

1. Figures must be saved on a separate disk from the text.

2. Avoid the use of colour and tints for aesthetic reasons. Figures should be produced as near to the finished size as possible.

3. High quality reproducible hard copy for all line figures (printed out from your electronic files at a minimum of 600 dpi) must be supplied in case the disks are unusable; photographs and transparencies can be accepted as hard copy only. Photocopies will not be accepted.

4. All figures must be numbered in the order in which they occur (e.g. figure 1, figure 2 etc.). In multi-part figures, each part should be labelled (e.g. figure 1 (a), figure 1 (b) etc.)

5. The figure captions must be saved as a separate file with the text and numbered correspondingly.

6. The filename for the graphic should be descriptive of the graphic e.g. Figure1, Figure2a.

7. Files should be saved as TIFF (tagged image file format), PostScript or EPS (encapsulated PostScript), containing all the necessary font information and the source file of the application (e.g., CorelDraw/Mac, CorelDraw/PC).

Disks should be clearly labelled with the following information:

1. Journal title
2. Name of author
3. Figures contained on disk
4. Hardware used (PC or Mac)
5. Software used (name and version)

Sample disk label: figures

Journal title

A.N. Author

Figures 1-10

Macintosh

Adobe Illustrator 5.5

File transfer protocol

If you would like to deposit the final version of your manuscript via FTP, please contact the Editorial Production Manager for Journals, Taylor & Francis Ltd, 4 Park Square, Milton Park, Abingdon, Oxon, OX14 4RN, UK; Tel. +44 (0)1235 828000; for a guide to access and use, or email elizabeth.jefferis@tandf.co.uk

Supplementary Material

A fully completed CIF (Crystallographic Information File) should be deposited with the CCDC (send files as attachments to deposit@ccdc.cam.ac.uk) and the returned deposition number quoted in the experimental section of the manuscript.

About Taylor & Francis

The foundations of Taylor & Francis were laid in pioneering fashion in 1798. Richard Taylor printed and launched the Philosophical Magazine, one of the first scientific journals published by an independent company.

It was the start of a close collaboration with scholarly societies which was cultivated throughout the 1880s. The company became the printer for the Royal Astronomical Society, the Geological Society, the Zoological Society, the Horticultural Society, the Royal Botanical Society, the British Association for the Advancement of Science, the Royal Society and the Linnean Society of London. With the proliferation of periodicals and information generated by learned societies at the turn of the century, Taylor & Francis also became pioneers in the field of abstracting journals, and in 1890 the company became the first printer of Science Abstracts the precursor of today's Physics Abstracts.

Book publishing was a mostly secondary concern for the company until the 1960s, when significant expansion was implemented at all levels from schoolbooks to high level monographs. Since then the focus of book publishing has been predominantly at the undergraduate level and above, with an ever larger number of subject areas brought into the programme.

The principles which drove the founders of Taylor and Francis are still paramount today. Academic scholarship must be of the highest quality which will be reflected in appropriate production practices and values. We hope that we remain true to those principles and that being a Taylor and Francis author is still a pleasant, profitable and proud experience.

3.Editors:

Professor H. F. Schaefer III (Chairman) - Center for Computational Quantum Chemistry, University of Georgia, Athens GA 30602, USA
Professor N. C. Handy - Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK
Professor Jean-Pierre Hansen
- Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW , UK

Professor I. Mills - Department of Chemistry, University of Reading, Whiteknights, Reading RG6 2AD, UK
Professor F. Merkt - Laboratorium f黵 Physikalische Chemie, Eidgen鰏sische Technische Hochschule Z黵ich ETH-H鰊ggerberg, HCI CH-8093 Z黵ich, Switzerland.

Advisory Board:

A Ba黡er - Zurich

D. C. Clary - Oxford University, UK
P. T. Cummings - Vanderbilt University
R. Evans - Bristol
G. Jackson - London
B. J. Howard - Oxford
R. M. Lynden-Bell - Belfast, UK

M. Quack - Z黵ich


Editorial Board

M. P. Allen - Bristol
M. N. R. Ashfold - Bristol
L. D. Barron - Glasgow
R. J. Bartlett - Gainesville
V. Bondybey - Garching
J M Brown - Oxford
P. R. Bunker - NRC, Ottowa
M. S. Child - Oxford
D Cremer - Goteb鰎g
P B Davis - Cambridge
S Dietrich - Stuttgart
G. Di Lonardo - Bologna
R. N. Dixon - Bristol
D. Evans - Canberra
H. Fielding - London
J.-M. Flaud - Orsay
P. W. Fowler - Exeter
D. Frenkel - Amsterdam
J. Gauss - Mainz
K. Gubbins - Raleigh
J. R. Henderson - Leeds
K. Hirao - Tokyo
P. J. Hore - Oxford
P. J. Knowles - Birmingham
P. Kusalik - Halifax, Canada
K. K. Lehmann - Princeton
M. H. Levitt - Southampton
E. Lomba - Madrid
W. Lubitz - Mulheim, Ruhr
P. A. Madden - Oxford
J.-P. Maier - Basel
K. A. McLauchlan - Oxford
R. E. Miller - Chapel Hill
I. Nezbeda - Prague
A. J. Orr-Ewing - Bristol
A. Z. Panagiotopoulos - Princeton
T. R. Rizzo - Lausanne
M. Robb - London
L. F. Rull - Sevilla
A. Schweiger - Z黵ich
T. P. Softley - Oxford
A. K. Soper - Rutherford
M. Sprik - Cambridge
A. J. Stace - Sussex
R. M. Stratt - Brown
A. van der Avoird - Nijmegen
H.-J. Werner - Stuttgart
B. Widom - Cornell
R. N. Zare - Stanford
T. S. Zwier - Purdue

 



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