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«New in 2016: 1. In an effort to promote the publication of reliable molecular modeling and simulation data, the Journal of Chemical & Engineering ...»

-- [ Page 1 ] --

Information for Authors

(Revised May 2016)

Contents (click on the topic)

SCOPE | TYPES OF CONTENT – Articles – Reviews – Comments – Additions and Corrections –

Retractions | EDITORIAL POLICY – Web Submission – Plagiarism – Peer Review Process – Collaboration

with the TRC – Proofs – Publication Date – ACS Policies for E-Prints and Reprints | SUBMISSION OF

MANUSCRIPTS – Cover Letter – Patent Activities and Intellectual Property Issues – Conflict of Interest

Disclosure – Journal Publishing Agreement | MANUSCRIPT PREPARATION – Table of Contents Graphic – Title – Authorship –

Abstract

– Text – Symbols, Units, and Terminology – Reporting Uncertainty in Results – Chemical Nomenclature – Description of Chemical Samples – Equations – Safety – Acknowledgments – Supporting Information – Literature Cited – Funding Statement – Tables – Figures

New in 2016:

1.

In an effort to promote the publication of reliable molecular modeling and simulation data, the Journal of Chemical & Engineering Data has begun the establishment of guidelines for these publications. Molecular modeling and simulation papers need to follow these new guidelines, which can be found at http://trc.nist.gov/JCED- Support.html.

2.

When submitting a revision, authors should submit two versions of their revised manuscript. One should clearly show all changes that have been made using either high- lighting or track changes so that the editors and reviewers can easily find the changes that have been made. The other should be an unmarked version where all the changes are incorporated.

3.

When providing recommended reviewer names, authors must include the reviewers’ current affiliations and e-mail addresses.

4.

If 1H NMR data are used to quantify the purity of a chemical sample, authors should provide a copy of the NMR spectrum, including chemical shifts and peak integrals in the Supporting Information. For papers including five compounds or fewer, authors must provide spectra for all compounds. For papers including more than 5 compounds, authors must include representative NMR spectra for 5 compounds plus 10% of any compounds in excess. For example, if a paper reports 20 compounds, authors should submit 5 + 0.10(15) = 7 spectra. The 'Publishing Tools' page on the ACS Publications Web site has a link to additional guidance for reporting NMR data in research papers.

SCOPE The Journal of Chemical & Engineering Data (JCED) is a monthly journal devoted to the publication of data obtained from both experiment and computation. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of welldefined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of JCED. The scope of this Journal includes thermophysical properties and phase equilibria obtained from molecular modeling and simulation. We welcome reviews of experimental techniques. JCED will consider manuscripts that include small sections on a broader range of topics (e.g., synthesis and spectroscopic characterization of new materials), as long as the FOCUS of the manuscript is the thermophysical properties and/or phase equilibria of the materials. JCED does NOT cover papers for which the primary emphasis is reaction kinetics or catalysis.

TYPES OF CONTENT

Articles Articles should contain new experimental methods, experimental data, or computational results on physical, thermodynamic or transport properties.

JCED encourages submissions that calculate thermophysical properties and phase equilibria from molecular models through the use of quantum chemistry, statistical mechanics, or molecular simulations, particularly when a comparison with experimental data is included. In an effort to promote the publication of reliable molecular modeling and simulation data, as has been done for many years for experimental data, starting in January 2016 JCED is establishing guidelines for molecular modeling and simulation publications. Specifically, JCED has requirements for the detailed description of computational models and methods, reporting of uncertainties, and presentation of results in tabular form. These requirements can be found at http://trc.nist.gov/JCED-Support.html.

Articles should present a significant amount of experimental or computational data on properties of systems of technological or theoretical interest that are not available in the original literature, that have lower uncertainty than those published, or that help resolve conflicts in previously published values. Results must be discussed in detail and comparisons given to previously published results for the same or similar systems. Please use a database like Thermolit (http://trc.nist.gov/thermolit/) for comparison purposes. The microscopic interpretation of macroscopic measurements on the basis of statistical mechanical and/or spectroscopic data is encouraged. JCED does not accept ‘short articles’ or ‘communications’; all articles must include substantive results and discussion of those results. JCED has special requirements on materials, uncertainties and presentation of results in tabular form. Please see the section on Manuscript Preparation and specifically for Tables and Figures at http://trc.nist.gov/JCED-Support.html.





Reviews Reviews on specific topics within the scope of JCED—thermophysical properties and phase equilibria from experiment and computation—are strongly encouraged. Comprehensive reviews (i.e., “review”) of a particular area as well as less comprehensive reviews that contain more opinion and perspective (i.e., “mini-review”) are welcome. Reviews and mini-reviews designed either for newcomers to a particular research field or for experts are of interest. Reviews or minireviews of experimental techniques or recommended thermophysical values for pure substances or mixtures are also acceptable. Mini-reviews should be no longer than 4,000 words and reviews should be no longer than 8,000 words. Both should contain figures and schemes when necessary. Reviews a nd m i n i - r evi e ws are invited, but pre-publication inquiries are encouraged and should be sent to the Editor-in-Chief (eic@jced.acs.org).

Comments Comments include significant remarks on work previously published and are restricted to one printed page including tables, figures, text, and a brief abstract. If a Comment is concerned with the work of other authors, the Editor will permit those authors to reply. Comments should be used only when an important point is to be made. The Editor reserves the right to reject comments that are not substantive. Additions and Corrections are author’s corrections to printed manuscripts. Book Reviews and Obituaries may be published on occasion.

Additions and Corrections Additions and Corrections may be used to address important issues or correct errors and omissions of consequence that arise after publication of an article. Additions and Corrections may be requested by the author(s) or initiated by the Editor after discussions with the corresponding author. Readers who detect errors of consequence in the work of others should contact the corresponding author of that work. All Additions and Corrections are subject to approval by the Editor, and minor corrections and additions will not be published. Additions and Corrections from authors should be submitted via the ACS Paragon Plus environment by the corresponding author for publication in the “Addition/Correction” section of the Journal. The corresponding author should obtain approval from all of the article coauthors prior to submitting an Addition and Correction, or provide evidence that such approval has been solicited. The Addition and Correction should include the original article title and author list, citation including DOI, and details of the correction. For proper formatting, see examples in a current issue of the Journal.” Retractions Articles may be retracted for scientific or ethical reasons. Articles that contain seriously flawed or erroneous data such that their findings and conclusions cannot be relied upon may be retracted in order to correct the scientific record. Retractions may be requested by the article author(s) or by the journal Editor(s), but are ultimately published at the discretion of the Editor. When an article is retracted, a notice of Retraction will be published containing information about the original article title, author list, and the reason for the Retraction. Retracted articles will be accompanied by the related Retraction notice and will be marked as “Retracted”. The originally published article will remain on the web except in extraordinary circumstances (e.g. where deemed legally necessary, or if the availability of the published content poses public health risks). The American Chemical Society follows guidance from the Committee on Publication Ethics (COPE) when considering retractions; for more information see: http://publicationethics.org/.”

EDITORIAL POLICY

Web Submissions Manuscripts must be submitted via the ACS Paragon Plus Environment at the following Web address: http://paragonplus.acs.org/login. Registering/logging in will take you to your own ACS Paragon Plus Home Page, where you can submit and track the progress of your submission.

Complete instructions, including information on which platforms and word processing packages are supported, and an overview of the electronic online (Web) submission process are available through the secure ACS Paragon Plus Web site. The Web submission site employs state-of-theart security mechanisms to ensure that all electronically submitted manuscripts are secure. These same security mechanisms are also utilized throughout the peer review process, permitting access to only those Editors and reviewers assigned to a particular manuscript. Authors must also submit all revisions of manuscripts through their own ACS Paragon Plus Home Page. Authors will be sent an e-mail acknowledging receipt of the manuscript. Manuscript proofs are also available from a secure Web site. JCED is pleased to publish papers without page or color charges to authors.

Plagiarism Plagiarism is not acceptable in ACS journals. ACS journals adhere to the U.S. National Science Foundation definition of plagiarism as “the appropriation of another person’s ideas, processes, results, or words without giving appropriate credit” (45 Code of Federal Regulations, Section 689.1). Authors should not engage in plagiarism, which is verbatim or near-verbatim copying, or very close paraphrasing, of text or results from another’s work. Authors should not engage in self-plagiarism (also known as duplicate publication), which is unacceptably close replication of the author’s own previously published text or results without acknowledgement of the source.

ACS applies a “reasonable person” standard when deciding whether a submission constitutes duplicate publication. If one or two identical sentences previously published by an author appear in a subsequent work by the same author, this is unlikely to be regarded as duplicate publication, even though all material quoted verbatim from an author’s previously published works should be placed in quotation marks. In contrast, it is unacceptable for an author to include significant verbatim or near-verbatim portions of his/her own work, or to depict his/her previously published results or methodology as new, without acknowledging the source. [This statement from the ACS Ethical Guidelines was modeled with permission from Society for Industrial and Applied Mathematics: Authorial Integrity in Scientific Publication which can be found at the following Web address: http://www.siam.org/books/plagiarism.php.] JCED and other ACS Journals are now checking submissions with a software that compares manuscripts to previously published articles and other publically available material.

Manuscripts that contain plagiarism or significant self-plagiarism will be returned to the authors for revision after the authors have made changes in response to the reviewers’ reports but prior to approval. Significant plagiarism or attempts at duplicate publication of results may result in the application of sanctions by the Editor-in-Chief, including but not limited to the suspension or revocation of publishing privileges. Further information about plagiarism can be found in Part B of the Ethical Guidelines to Publication of Chemical Research.

Peer Review Process Manuscripts that fall within the scope of JCED and are deemed to be of interest to JCED readers will be sent out for external evaluation. Authors should provide a list of at least four individuals (with their e-mail addresses) who are competent to review the manuscript. Requirements for

suggested reviewers:

- They should not be exclusively those well-known in the field who would be an obvious choice of the editors, but they must have expertise and have published in the area.

- None can be from the authors’ own institution(s).

- Not more than two can be from the country in which the work was conducted.

- They should not include collaborators or former mentors or mentees.

Authors may request that a certain person not be used as a reviewer.

Reviewers should evaluate the manuscript on originality, technical quality, clarity and importance. The editors will evaluate the reviews in the context of the journal scope and requirements and make a decision on the manuscript. Decisions on manuscripts are not the consensus or average of the reviewer comments. Rather, it is the best opinion of the editor based on the information available. Sometimes editors will seek additional reviews or additional information from reviewers in order to help in the decision-making process. Possible decisions

are:

 Approve. After approval, the manuscript is evaluated by NIST, as described below. If problems are found, the authors will be required to make revisions before the manuscript can be accepted for publication.



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