万维提示：
1、投稿方式：在线投稿。
2、期刊网址：http://www.q-chem.org/
https://onlinelibrary.wiley.com/journal/1097461x
3、投稿网址：http://mc.manuscriptcentral.com/qua
4、官网邮箱：quantum@wiley.com
5、出刊日期：半月刊，一年出版二十四期。
2021年4月12日星期一
投稿须知【官网信息】
Author Guidelines
Manuscript Preparation
General Information
SI units are preferred. The nomenclature sponsored by the International Union of Pure and Applied Chemistry (IUPAC) is requested for chemical compounds. Chemical bonds should be correctly placed and double bonds clearly indicated. Indicate valence by superscript plus and minus signs. Authors of papers presenting ab initio electronic structure calculations or force-field calculations should follow the respective IUPAC guidelines (see J. Comput. Chem. 20, 1587-1590 and 1591-1592).
For information on editorial policies and processes, please see our extended guidelines.
Cover Letter
Your cover letter should contain a brief summary of the submitted work and answer the following key questions:
Why is this topic important?
Why are the results significant?
What is the key result?
What is the advance on previous work?
Why are you submitting it to this journal?
Why will the journal's audience be interested in this paper?
What applications is the technology described in the manuscript going to be useful for?
In addition, the cover letter should disclose scientific or financial conflicts of interest, list related papers in press or under consideration elsewhere, and provide suggestions for qualified reviewers in the field. Up to three non-preferred reviewers can also be listed. Please note the editors will normally honor requests to exclude non-preferred reviewers whenever possible.
Manuscript Types
Original Research
Full Papers are comprehensive reports of important recent advances in the development of basic theory, quantum mechanical computational methodologies and their relevant applications that provide significant insight to problems of broad interest in chemistry, physics, biology, and materials science. Articles that report on routine applications of standard computational approaches to systems of interest to only specialized communities or incrementally expand findings that were previously published will be, unless significant new advances or conceptual breakthroughs are announced, declined. Theoretical reports that are correlated with relevant experimental data or have substantial predictive value of experimental observable or novel materials properties are especially welcome. Full papers should include a 150-word abstract, graphical abstract image and 75-word graphical table of contents summary. The opening sentence of the manuscript should summarize the reasons for the undertaking of the work and the main conclusions that can be drawn. The main text should be contain sections with brief subheadings, a summary of the major conclusions of the paper, and a Method section containing sufficient detail to reproduce the work. Full papers are peer-reviewed and include received, revised and accepted dates.
Software News and Updates are provided by authors of software applications, updates or algorithm implementations. The article should clearly describe the functionality of the software or algorithm together with the relevant context and the specific issue which the program presented is intended to address. Data on the code performance and example of its applications to relevant chemical systems are especially welcomed in Software News and Updates. Whenever possible, an outline for future development of new features should be also discussed. Software News and Updates should focus clearly on scientific progress in computational chemistry, and submissions of mainly commercial content are not acceptable. Software News and Updates articles are peer-reviewed and include a 150-word abstract, graphical abstract image and 75-word graphical table of contents summary. Read Software News and Updates in the International Journal of Quantum Chemistry
Literature Reviews
Perspectives are short discussions of important emerging topics in quantum chemistry, usually focused on no more than a few recently published papers, and including the authors' vision for the future of the topics, identifying important problems that should be addressed next. Citations should not be comprehensive, but rather highlights from the literature that demonstrate the recent progress made in the topic. Perspectives should be limited to 3,000 words, 4 display items (figures and/or tables) and 30 references. Authors' photo and brief (75-word) biographies should be included, along with a 150-word abstract, graphical abstract image and 75-word graphical table of contents summary. Perspectives are normally commissioned, but unsolicited proposals are also considered. Perspectives are peer-reviewed and include received, revised and accepted dates.
Reviews are comprehensive surveys of recent progress in a topic of broad interest in quantum chemistry, providing the readership with an appreciation of the importance of the work, a summary of recent developments and a guide to the relevant literature. Citations should be selective and not biased towards a single research group. Reproduction of key images from the cited literature is encouraged; however, permission must be obtained from the original publisher of the image and uploaded along with the submission. Reproduced figures must clearly state in the caption that they are reproduced. Additionally authors' photos and brief (75-word) biographies should be included, along with a 150-word abstract, graphical abstract image and 75-word graphical table of contents summary. Reviews are normally prepared at invitation, but unsolicited proposals are also considered. Reviews are peer-reviewed and include received, revised and accepted dates. Read recent Reviews in the International Journal of Quantum Chemistry at reviews.q-chem.org.
Tutorial Reviews are essential introductions to a particular area of quantum chemistry, especially tailored towards younger researchers or established scientists seeking new fields to explore. Typically they should not contain unpublished data. Authors' photos and brief (75-word) biographies should be included, along with a 150-word abstract, graphical abstract image and 75-word graphical table of contents summary. Tutorials are normally prepared at invitation, but unsolicited proposals are also considered. Tutorials are peer-reviewed and include received, revised and accepted dates. Read Tutorials in the International Journal of Quantum Chemistry at tutorials.q-chem.org.
Manuscript Details
The International Journal of Quantum Chemistry has partnered with Authorea, to offer dedicated article submission templates, which you can download for local use or edit collaboratively in Authorea before submitting the article directly to the journal editorial office.
Article submission template are available here (Generic) and here (LaTeX).
The use of the above templates is strongly encouraged before submission.
Guidelines and support for taking advantages of the full potential of Authorea can be found here. For an overview on how to use Authorea, reference this Get Started guide or watch a quick overview video.
Other Templates
We place very few restrictions on the way in which you prepare your article for submission and it is not necessary to try to replicate the layout of the Journal. We don't think it a good use of your time to play around with reference formatting, page margins, etc. in order to submit to our journal; if we accept your paper our production process will take care of all aspects of formatting and style.
We ask only that you consider your reviewers by supplying your manuscript in a clear, generic and readable layout (e.g. page and continuous line numbers are always appreciated), and ensuring that all relevant sections are included.
Microsoft Word Documents
Manuscripts created in a word-processing program (e.g., MS Word or WordPerfect) can be uploaded as .doc, .docx, or .rtf files. Tables and Figures should be included in line with the text with their own caption. All figures and tables must be numbered and cited sequentially in the manuscript.
Figures and Tables should also be uploaded as separate files. You can provide figures in JPG/GIF/PNG format with a minimum of 150dpi.
LaTeX Documents
It is recommended that a PDF copy of the manuscript is generated locally, then uploaded and designed as "Main Document". The main LaTex file, figures and bibtex will be necessary only after acceptance of your manuscript.
You may submit your manuscript in RevTeX4; however, at the end of the submission process you will need to check the PDF file conversion twice in order to produce a clean file for review. Failure to run the conversion twice will result in file corruption and the manuscript will need to be resubmitted.
Please remember to check the PDF file conversion carefully for all figures before submitting your document. If you do not see all of your files, check the log file for internal errors.
The list below can be used as a checklist to ensure that the manuscript has all the information necessary for successful publication:
Title
Titles should be 15 words or less. Please avoid terms such as novel, new and first.
Author List
The Author list should include those persons who have made a significant contribution to the presented work. Equal and partial authorship designations are not allowed. The first name (written in full), initials (if any), and surname should be used. Titles and academic degrees should not be included. The order of authors cannot be changed after acceptance.
Institution Address
The affiliation of all authors including the name of department or institution and full postal address should be listed and indicated as footnotes using the Arabic numerals placed as superscripts after the appropriate author's names. The e-mail address of the corresponding author should be incorporated in the separate line. If more than one corresponding author is present, the only requirement is that one of them is also the one indicated in the system upon submission.
Abstract
A short abstract (maximum length 200 words) summarizing briefly the purpose of the work, significant results and conclusions is required.
Keywords
Authors are asked to provide up to five keywords during submission. Include these after the abstract in the main manuscript. For information on choosing keywords and how to search engine optimize your article see our Top Tips to Make Your Article Discoverable Online (PDF).
Figures
All figures must be numbered according to their place in the text and include a legend. See below for more information on graphics preparation.
Tables
All tables must be editable, numbered according to their place in the text, and include titles.
References
The Journal accepts all citation formats as long as they are easy to read, adopted consistently throughout the reference list, and citations are correct. Literature citations should follow the Chemical Abstracts Service Source Index (CASSI) recommendations for title abbreviations.
We do not encourage citations of references only within the Supplementary Material section as they will not be live links and do not contribute towards citation measures for the papers concerned. Instead, all references cited within Supplementary Material should be included at the end of the reference section of the main manuscript, and their numbering should continue as if the Supplementary Materials was a continuation of the main text.
Data Accessibility & Supplementary Material
The Int. Journal of Quantum Chemistry encourages data sharing wherever possible, unless this is prevented by ethical, privacy or confidentiality matters. Authors publishing in the journal are encouraged to make their data, codes/scripts and molecular structures used to generate the analyses presented in the paper available via a publicly available data repository (QCArchive, ioChem-BD, Qresp, Dryad, FigShare, and others...), however this is not mandatory.
Among the many available data management and archiving platforms, ioChem-BD is one dedicated to computational chemistry, with compatibility with a diverse group of already common simulation packages.
The open-source Quantum Chemistry Archive (QCArchive) project provides a software ecosystem to compute, visualize, and share quantum chemistry data. The Molecular Sciences Software Institutehosts a community QCArchive instance and accepts well-formed datasets of medium size (up to 1e5 results) to be publicly available that have been computed with the QCArchive ecosystem.
The open source software Qresp facilitates the organization, annotation, and exploration of locally archived data sets, codes, and workflows presented in scientific papers.
If you opt to make the data, scripts, or other artefacts available via a publicly available data repository at submission, please include a reference to the location of the material within their paper (including in figure captions).
Example:
“A data set collection of computational results is available in the [repository name] and can be accessed via http://dx.doi.org/10.xxxx/xxxx. [repository provided doi or hyperlink]”
Reference to publicly archived data/structures can effectively supersede the need for excessively lengthy tables in the Supplementary Information material, and facilitates the reproducibility and validation of the published research.
Other types of supplementary material for review can be uploaded as .pdf, .doc, .docx, .rtf, or .ps files and designated as "supplementary material for review". Please do not provide separate files for tables or figures included in the supplementary material. Supplementary material may also 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, or for sharing on appropriate public repositories.
The Data Availability Statement should be included in the main text. The Statement in the main text and the Statement provided upon online submission should match.
Graphical Abstract
We strongly invite our authors to design an image and short text for the Table of Contents (TOC). An attractive full-color image for the TOC should be sent at the time of manuscript submission. The image may be specifically designed for the table of contents and is meant to convey the broader importance of the work and thereby capture the reader's attention. The image must be square with dimensions of 2 inches/5 cm. The use of graphs and images consisting of several parts is strongly discouraged. The accompanying table of contents text (less than 75 words) is not an abstract but together with the graphic should convey the paper's essence and wider implications to a non-specialist audience.
Examples of graphical abstracts can be found here.
Graphics Preparation
Images should be provided within the main document. For more information of preparing images, see M. Rolandi et al., A Brief Guide to Designing Effective Figures for the Scientific Paper (PDF).
Image resolution
All line art should be either vector files or, if this is not feasible, have a resolution of 1200 dpi. Grayscale and color figures must have a resolution of at least 300 dpi. To ensure that your digital graphics are suitable for print, please use the Rapid Inspector software available at http://rapidinspector.cadmus.com/zwi/index.jsp. This free application will help you to inspect and verify illustrations for print quality and resolution.
Image sizing
Images should be created or scaled to the size intended for print; no enlargement or reduction should be necessary. Image files should be cropped to remove non-printing borders. Files should be checked carefully for any type, lines, or other elements outside the illustration that are not intended for print. Such elements should be removed before submission. Image orientation should be the same as intended for print.
Chemical structures
Chemical structures and reaction schemes should be drawn with an appropriate drawing program. The most suitable settings that should be used with ChemDraw are listed below. The settings of other programs should be adjusted similarly.
The most suitable settings for ChemDraw are:
1. Drawing settings:
Chain angle: 120°
Bond spacing: 18% of width
Fixed length: 14.4 pt (0.508 cm, 0.2 in.)
Bold width: 2.0 pt (0.071 cm, 0.0278 in.)
Line width: 0.6 pt (0.021 cm, 0.0084 in.)
Margin width: 1.6 pt (0.056 cm, 0.0222 in.)
Hash spacing: 2.5 pt (0.088 cm, 0.0347 in.)
2. Text settings:
Font: Arial (PC) or Helvetica (Mac)
Size: 10 pt
3. Preferences:
Units: Points
Tolerance: 3 pixels
4. Page setup:
Paper: U.S. letter
5. Maximum image widths:
Single column: 19 picas (8.096 cm, 3.187 in.)
Double column: 40 picas (16.906 cm, 6.656 in.)
Graphical abstract: 18 picas (7.62 cm, 3.0 in.)
Maximum depth: 13.5 picas (5.715 cm, 2.25 in.)
Cover Image Submissions
This journal accepts artwork submissions for Cover Images. This is an optional service you can use to help increase article exposure and showcase your research. For more information, including artwork guidelines, pricing, and submission details, please visit the Journal Cover Image page.
To view past cover images please visit our cover gallery.
Under Review
Beginning Fall 2019, the Int. Journal of Quantum Chemistry is participating in a pilot of Under Review, Wiley’s new service to streamline the early sharing of research and open up the peer review process. With one click, authors can now opt to preprint their manuscript with Under Review during submission and showcase their work to the global research community as a preprint, before it is accepted or published.
Under Review is powered by Authorea, an open research platform for all your research outputs, including data, figures, and preprints. By opting-in to the Under Review service authors can:
Seamlessly preprint at the same time you submit your research for publication
Share your work early, while indicating it is being considered at a specific journal
Track the peer review process openly in real time
Immediately make your work citable, discoverable, and easily shareable
Get additional community feedback that can be used to improve your manuscript
Learn more about the benefits of Under Review.
Author Services
Please click here to learn about author tools that Wiley provides to help you through the publication journey.
Online production tracking is now available for your article through Wiley-Blackwell's Author Services. Author Services enables authors to track their article - once it has been accepted - through the production process to publication online and in print. Authors can check the status of their articles online and choose to receive automated emails at key stages of the production process. Authors will receive an email with a unique link that enables them to register and have their article automatically added to the system. Please ensure that a complete email address is provided when submitting the manuscript. Visit http://authorservices.wiley.com for more details on online production tracking and for a wealth of resources including FAQs and tips on article preparation, submission, and usage statistics. Language editing services, as well as translation and figure formatting, are offered by Wiley at http://wileyeditingservices.com/en/.
eLocators
This journal now uses eLocators. eLocators are unique identifies for an article that service the same function page numbers have traditionally served in the print world. When citing this article, please insert the eLocator in place of the page number. For more information, please visit the Author Services eLocator page here.
Privacy
By submitting a manuscript to or reviewing for this publication, your name, email address, and affiliation, and other contact details the publication might require, will be used for the regular operations of the publication, including, when necessary, sharing with the publisher (Wiley) and partners for production and publication. The publication and the publisher recognize the importance of protecting the personal information collected from users in the operation of these services, and have practices in place to ensure that steps are taken to maintain the security, integrity, and privacy of the personal data collected and processed. You can learn more here.
