The Journal of Chemical Software : Information for Authors, 1998

1. Submission of Manuscripts

General Papers:

Complete reports of original work on computational methods, hardware and/or software for chemical research, development or application in its broadest sense.

Notes :

Brief reports of novel developments or applications (maximum length : 4 journal pages).

Technical Papers :

Reports of technically original work, for example, the implementation of a program for wider applicability.

Reviews :

Creative reviews on timely topics in areas appropriate to the Journal.

The Editorial Office will send an acknowledgement of receipt. Authors should contact the office if such a notice is not received within three weeks. A draft returned to the authors for correction must be resubmitted within a month. Revised manuscripts should be submitted in triplicate unless otherwise indicated, and must be accompanied by a covering letter that addresses each of the comments of the reviewer(s) and explains all changes made in the earlier version.
Only original papers, not published elsewhere, will be accepted. The copyright of papers accepted for publication in The Journal of Chemical Software belongs to The Chemical Software Society of Japan (CSSJ). The transfer of copyright from author to the Society must be explicitly made to enable the Society to ensure maximum dissemination of the author's work.
Authors are invited to distribute their originally developed program(s) via the Home Page of the Society. Such distribution is free of charge. Programs intended for commercial sale are excluded.
The manuscript which is accepted for publication will be published electronically through the internet prior to the conventional publication in printed form. For electronic publication the author must, in principle, submit a computer-readable manuscript with a floppy disk or via e-mail, according to the guidelines which will be sent to the author directly.
All the articles appearing in The Journal of Chemical Software in 1998 are to be made available through international network WWW (World Wide Web). Most of the articles in the back numbers of the Journal are similarly available. In case of problems, The Chemical Software Society of Japan has no responsibility to continue this service. The internet address of the English content of the Journal is as follows:
http://www.sccj.net/CSSJ/jcs/content.html
Members of The Chemical Software Society of Japan may share their subscriptions in conventional printing form without further cost. Member and subscription services are available from professor Tadayosi Yoshimura of Fukui National College of Technology, or via internet access to the Home Page of the Society: http://www.sccj.net/CSSJ/

Table 1. Page Charge / in Japanese Yen

pages	1 - 2	3 - 4	5 - 6	7 - 8	9 - 10	over 11 pages
charge for members of CSSJ	12,000	20,000	28,000	36,000	44,000	8,500 for 2 pages

To defray some of the cost of conventional publication, a payment (shown in Table 1) is required. On payment of the page fee, authors receive 100 reprints without further charge. No additional reprints will be supplied by the Society.

2. Preparation of Manuscripts

2.1 General Instructions

1. The entire manuscript must be submitted in camera-ready form on good quality A4 (21.0 x 29.6 cm) paper with 3.0 cm top and bottom margins. It will be reduced in size to 76% (0.87 x 0.87) of the original to give the final printed page.
2. The title should have a column width of 15 cm (margins of 3.0 cm on the right and left sides) with a character size of 16 points in Times bold. The title of the article should be centered in capitals for the first letter of each word except for articles, conjunctions, and prepositions. The names of the authors (14 points) and addresses (12 points) at which the research was done should appear under the title and have a column width of 15 cm in a Times font. Use the letters a, b, c..., as superscripts to link authors to their addresses and an asterisk to indicate the author(s) to whom correspondence should be addressed. Complete addresses should be given, including postal zip codes. The e-mail address of the author to whom correspondence should be addressed should be given in italics.
3. The date received is the day on which the editor receives the article. The Editorial Office enters the date received after the addresses.
4. The abstract (column width of 16 cm (margins of 2.5 cm on the right and left sides) ) and text ( column width of 17 cm (margins of 2.0 cm on the right and left sides)) must have 14-point line spacing (10 lines in about 4.9 cm), full justification, and a character size of 12 points. A Times font is recommended. Superscript and subscript letters or numbers must be at least 2.2 mm high. Indent the first sentence several spaces. The abstract should be written so that readers can understand the purpose, methods and conclusions without referring to the text. Do not use a heading in the abstract. When a compound, Table or Figure number is cited in the abstract, such numbers should be identical with those used in the text. After writing several keywords (for example, Keywords : Crystal structure, Molecular orbital, Curve fitting, Multimedia, Chemical education) begin the text. Use headings for Introduction, Method (instruments, operation system, etc.), Experimental Part, Results and Discussion, Conclusion, etc. Expressions of thanks should be brief and placed before the References and Notes section, but with no heading. All pages should be numbered consecutively.
5. The references to the literature and footnotes (except those in Tables) should be numbered in the text in one consecutive series. For example: Hosoya et al. [1, 2] by Yoshimura [3 - 6], Newbold [7], and Yoshino [8]. The list of literature cited and footnotes should be headed by the phrase References and Notes and numbered 1, 2, 3, etc., according to the numbers used in the text. Journals should be abbreviated as in Chemical Abstracts. The use of "ibid." and "idem" in references is not allowed. In references, the journal title and the volume number (or year, if there is no volume number) should be typed in italics and bold-face, respectively. If reference is made to a paper submitted for publication or in press, authors are required to enclose a copy of the manuscript or galley proof.
6. A statement of the availability or the manner of distribution of the program appearing in the text is required.
7. The title in Japanese, authors and their affiliations, telephone and facsimile numbers, e-mail address of the principal author and abstract in Japanese are to be placed at the end of the English-language manuscript. Upon request from the author, this part may be arranged by the editorial board. The corresponding part in English is placed at the end of the Japanese-language manuscript.
8. Camera-ready manuscripts should be adjusted to make the page count as an even number including the additional part written in 2.1 (g)

2.2. Nomenclature, Symbols, Units, and Abbreviations

2.3. Tables, Figures, and Illustrations

1. Tables and Figures must have a width of 17 cm (full column) whenever possible. The citation of figures should be made in accordance with the following examples : Figure 1; Figures 1, 2, and 3. "Figure" should be spelled out instead of being written "Fig." For Tables and Figure captions, a Times font with a character size of 12 points is recommended. Standard abbreviations should be used in Tables. For "Table" in headings and "Figure" in captions, a Times bold font is recommended: for example: Table 2.; Figure 1. Footnotes in Tables are indicated by the letters a, b, c, etc. as superscripts and without parenthesis. For footnotes in Tables and Figure captions, a character size of 12 points and 14-points line spacing may be used. Mathematical and chemical equations should be arranged to occupy a single column. Authors using computer graphics and desktop-publishing software are encouraged to incorporate Formulas and Schemes in the text (one column) where they are to appear.
2. Structural or displayed formulas must be accurately drawn or typed. The illustrations should be clear enough for photographic reproduction reduced to 76%. For authors using the Chem Draw 2.x and 3.x programs, the following procedure is recommended. Authors using other drawing programs should select similar specifications.
   1. As "preferences", select: 10 pt Helvetica font fixed length 14.4 pt (0.508 cm) bold width 2.0 pt (0.071 cm) line width 0.6 pt (0.021 cm) tolerance 3 pt (0.106 cm) margin width 1.6 pt (0.056 cm) hash spacing 2.5 pt (0.088 cm) bond spacing 18% width
   2. Set the page setup to 100%.
   3. Using the Chem Draw ruler or appropriate margin settings, create structure blocks, schemes, and equations with maximum widths of 17 cm (one column). Write compound numbers in bold-face, but not atom labels or captions.
3. Color illustrations are acceptable providing that their black-and-white images give sufficient information. They will be published electronically in color, however, in the form of conventional printing, only in black-and-white.

The Journal of Chemical Software Submission / Copyright Transfer Form

This form
may be
reproduced

Telephone:_____________________________ Facsimile:_____________________________

e-mail:________________________________

I / We submit to The Journal of Chemical Software the manuscript specified below. I / We certify that the work reported here has not received prior publication and is not under consideration for publication elsewhere in any medium.

Authors (No. of Membership Card of CSSJ in parentheses) and Affiliations:

Manuscript Title:

Type of Paper: General Paper _____ Note _____ Technical Paper _____ Review _____
Number of manuscript pages: ________; Page charge ____________ (Japanese Yen)
Original Source Program File: Enclosed______ Not enclosed______
Do you want to distribute the program appearing in the manuscript by way of
The Chemical Software Society of Japan (CSSJ)? Yes____ No_____

***************COPYRIGHT TRANSFER***************

I / We agree to transfer to The Chemical Software Society of Japan the copyright of the above- mentioned manuscript, when the manuscript is accepted for publication in The Journal in any form.

Author's signature___________________________________________(only one signature needed)
Author's Name (in print) ___________________________________
Date____________________

Currently, whether electronic publication is considered as publication under Japanese Patent Law is uncertain. Accordingly, Article 30-1 of the Patent Law might not apply upon electronic publication.

Manuscript No. :
Date received: