万维提示：
1、投稿方式：在线投稿。
2、期刊网址：https://www.springer.com/journal/214
3、投稿网址：https://www.editorialmanager.com/tcac
4、官网邮箱：carlo.adamo@chimie-paristech.fr（主编）
Ilaria.ciofini@chimie-paristech.fr（主编）
更多联系方式请查看期刊官网信息。
5、出刊日期：月刊，一年出版十二期。
2021年4月4日星期日
投稿须知【官网信息】
Submission guidelines
Instructions for Authors
TCA Manuscript Types
TCA considers for publication, in English language, four kinds of manuscripts:
overviews, regular articles, letters, and conference reports. All papers should be of interest to researchers in the areas of chemical theory, computation, and modeling. All branches of chemistry (e.g., physical, organic, inorganic, polymer, biological, materials, etc.) are included.
Overviews should summarize recent progress in a specific field and should be written in a style that addresses the broad theoretical and computational chemistry community; they are normally restricted to 30,000 characters, including tables and references. In addition, up to eight figures may be submitted. Authors having compelling reasons to exceed these limits are welcome to contact the Editor for further discussion.
Regular articles should report work of particular interest to specialists in the theoretical and computational chemistry fields. Examples of such work include numerical methods, new developments in analytical theory, parameterization and force field validation, basis set developments, new classical and quantal algorithms and simulation methodologies, and finally applications of existing methodologies to the extent that they address particularly interesting and topical chemical problems and/or break new ground in illustrating the capabilities of the method(s) examined. Papers focusing on graph theoretical work and quantitative structure-activity relationships are generally judged to fall outside the scope of the journal. There is no restriction on manuscript size; brevity is encouraged insofar as scientific content allows.
Letters are normally restricted to 12,000 characters, including tables and references. In addition, up to six figures may be submitted.
TCA invites submission of reports from symposia, workshops, and conferences of interest to our readers. Such reports should contain results of interest to theoretical and computational chemists or modelers. Reports which provide a snapshot of the status of some subfield or research topic are most welcome; those consisting mainly of lecture titles without results or conclusions are not appropriate for publication.
All manuscripts should be submitted electronically. A list of five or more potential referees, at least one of whom is a member of the Advisory Editorial Board, must be provided together with email addresses. Review within four weeks of receipt is guaranteed for Letters, while other submissions will be handled with all due alacrity.
Manuscript Submission
Submission of a manuscript implies: that the work described has not been published before; that it is not under consideration for publication anywhere else; that its publication has been approved by all co-authors, if any, as well as by the responsible authorities – tacitly or explicitly – at the institute where the work has been carried out. The publisher will not be held legally responsible should there be any claims for compensation.
Permissions
Authors wishing to include figures, tables, or text passages that have already been published elsewhere are required to obtain permission from the copyright owner(s) for both the print and online format and to include evidence that such permission has been granted when submitting their papers. Any material received without such evidence will be assumed to originate from the authors.
Online Submission
Please follow the hyperlink “Submit manuscript” on the right and upload all of your manuscript files following the instructions given on the screen.
Please ensure you provide all relevant editable source files. Failing to submit these source files might cause unnecessary delays in the review and production process.
Title Page
Please make sure your title page contains the following information.
Title
The title should be concise and informative.
Author information
The name(s) of the author(s)
The affiliation(s) of the author(s), i.e. institution, (department), city, (state), country
A clear indication and an active e-mail address of the corresponding author
If available, the 16-digit ORCID of the author(s)
If address information is provided with the affiliation(s) it will also be published.
For authors that are (temporarily) unaffiliated we will only capture their city and country of residence, not their e-mail address unless specifically requested.
Abstract
Please provide an abstract of 150 to 250 words. The abstract should not contain any undefined abbreviations or unspecified references.
For life science journals only (when applicable)
Trial registration number and date of registration
Trial registration number, date of registration followed by “retrospectively registered”
Keywords
Please provide 4 to 6 keywords which can be used for indexing purposes.
Declarations
All manuscripts must contain the following sections under the heading 'Declarations'.
If any of the sections are not relevant to your manuscript, please include the heading and write 'Not applicable' for that section.
To be used for all articles, including articles with biological applications
Funding (information that explains whether and by whom the research was supported)
Conflicts of interest/Competing interests (include appropriate disclosures)
Availability of data and material (data transparency)
Code availability (software application or custom code)
Authors' contributions (optional: please review the submission guidelines from the journal whether statements are mandatory)
Additional declarations for articles in life science journals that report the results of studies involving humans and/or animals
Ethics approval (include appropriate approvals or waivers)
Consent to participate (include appropriate statements)
Consent for publication (include appropriate statements)
Please see the relevant sections in the submission guidelines for further information as well as various examples of wording. Please revise/customize the sample statements according to your own needs.
Text
Text Formatting
Manuscripts should be submitted in Word.
Use a normal, plain font (e.g., 10-point Times Roman) for text.
Use italics for emphasis.
Use the automatic page numbering function to number the pages.
Do not use field functions.
Use tab stops or other commands for indents, not the space bar.
Use the table function, not spreadsheets, to make tables.
Use the equation editor or MathType for equations.
Save your file in docx format (Word 2007 or higher) or doc format (older Word versions).
Manuscripts with mathematical content can also be submitted in LaTeX.
LaTeX macro package (Download zip, 188 kB)
Headings
Please use the decimal system of headings with no more than three levels.
Abbreviations
Abbreviations should be defined at first mention and used consistently thereafter.
Footnotes
Footnotes can be used to give additional information, which may include the citation of a reference included in the reference list. They should not consist solely of a reference citation, and they should never include the bibliographic details of a reference. They should also not contain any figures or tables.
Footnotes to the text are numbered consecutively; those to tables should be indicated by superscript lower-case letters (or asterisks for significance values and other statistical data). Footnotes to the title or the authors of the article are not given reference symbols.
Always use footnotes instead of endnotes.
Acknowledgments
Acknowledgments of people, grants, funds, etc. should be placed in a separate section on the title page. The names of funding organizations should be written in full.
Scientific style
Please always use internationally accepted signs and symbols for units (SI units).
Nomenclature: Insofar as possible, authors should use systematic names similar to those used by Chemical Abstract Service or IUPAC.
Genus and species names should be in italics.
Generic names of drugs and pesticides are preferred; if trade names are used, the generic name should be given at first mention.
Please use the standard mathematical notation for formulae, symbols, etc.:Italic for single letters that denote mathematical constants, variables, and unknown quantities Roman/upright for numerals, operators, and punctuation, and commonly defined functions or abbreviations, e.g., cos, det, e or exp, lim, log, max, min, sin, tan, d (for derivative) Bold for vectors, tensors, and matrices.
References
Citation
Reference citations in the text should be identified by numbers in square brackets. Some examples:
1. Negotiation research spans many disciplines [3].
2. This result was later contradicted by Becker and Seligman [5].
3. This effect has been widely studied [1-3, 7].
Reference list
The list of references should only include works that are cited in the text and that have been published or accepted for publication. Personal communications and unpublished works should only be mentioned in the text. Do not use footnotes or endnotes as a substitute for a reference list.
The entries in the list should be numbered consecutively.
If available, please always include DOIs as full DOI links in your reference list (e.g. “https://doi.org/abc”).
Journal article
Nugen S, Baeumner HJ (2008) Trends and opportunities in food pathogen detection. Anal Bioanal Chem 391:451-454
or
Nugen S, Baeumner HJ (2008) Anal Bioanal Chem 391:451-454
Article by DOI
Slifka MK, Whitton JL (2000) Clinical implications of dysregulated cytokine production. J Mol Med. https://doi.org/10.1007/s001090000086
Book
South J, Blass B (2001) The future of modern genomics. Blackwell, London
Book chapter
Brown B, Aaron M (2001) In: Smith J (ed) The rise of modern genomics, 3rd edn. Wiley, New York
Online document
Healthwise Knowledgebase (1998) US Pharmacopeia, Rockville. http://www.healthwise.org. Accessed 21 Sept 1998
Always use the standard abbreviation of a journal’s name according to the ISSN List of Title Word Abbreviations, see
ISSN.org LTWA
If you are unsure, please use the full journal title.
Tables
All tables are to be numbered using Arabic numerals.
Tables should always be cited in text in consecutive numerical order.
For each table, please supply a table caption (title) explaining the components of the table.
Identify any previously published material by giving the original source in the form of a reference at the end of the table caption.
Footnotes to tables should be indicated by superscript lower-case letters (or asterisks for significance values and other statistical data) and included beneath the table body.
Artwork and Illustrations Guidelines
Electronic Figure Submission
Supply all figures electronically.
Indicate what graphics program was used to create the artwork.
For vector graphics, the preferred format is EPS; for halftones, please use TIFF format. MSOffice files are also acceptable.
Vector graphics containing fonts must have the fonts embedded in the files.
Name your figure files with "Fig" and the figure number, e.g., Fig1.eps.
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