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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 ...»

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 Revision. Authors will be asked to revise the manuscript to address the concerns of the reviewers before the editors make a final decision. Responses to the reviewer comments and changes made to the manuscript must be delineated point-by-point in the response letter. 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 highlighting 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.

 Reject and Resubmit. This option is selected when significant revisions are needed that cannot reasonably be done in the time normally allotted for minor (14 days) or major (30 days) revisions.

 Reject. This can be based on technical flaws, flaws in the analysis or interpretation, insignificant results, insignificant analysis or discussion, lack of novelty, or lack of interest to JCED readership.

Reviewers may be asked to review revised versions of the manuscript. In these cases, the expert doing the re-review will usually be given blind copies of the other reviewer comments and the authors’ response. Any appeals of decisions should be sent to the Editor-in-Chief and include a concise statement of the specific reason for the appeal. Confidentiality is essential to the review process so authors should not make any attempt to identify or confront potential reviewers.

Collaboration with the Thermodynamics Research Center The Journal operates in cooperation with the Thermodynamics Research Center (TRC) of the National Institute of Standards and Technology (NIST) in two ways. First, NIST has created and will maintain a free online tool ThermoLit (http://trc.nist.gov/thermolit/) that allows any user to create a Literature Report on demand of data that is contained in the NIST data archive. JCED expects all authors to use ThermoLit to identify relevant literature data in the NIST data archive with which to compare their new results. ThermoLit is designed as an aid to the traditional methods used to obtain a comprehensive literature search and cannot be used as a substitute for these methods because the NIST data archive contains data from only select journals and publications. Second, after completion of the peer-review process but prior to acceptance, NIST will provide a Data Report summarizing the following: (1) typographical and data definition errors (if any), (2) serious inconsistencies between the results reported and values obtained from both the literature and established correlations, and (3) apparent inconsistencies with the reported uncertainties. Such matters, when found, must be corrected prior to acceptance. After publication, NIST provides the experimental data as a ThermoML-formatted file that can be obtained from the NIST ThermoML Data Archive at no charge. The data can also be retrieved in Microsoft Excel format with the ThermoML Opener software, which is also available for download at no charge (http://trc.nist.gov/ThermoML_Opener.html). Experimental data for ionic liquids and mixtures containing ionic liquids are available in the ILThermo Ionic Liquids Database (http://ilthermo.boulder.nist.gov/ILThermo/mainmenu.uix).

Proofs The corresponding author of an accepted manuscript will receive e-mail notification and complete instructions when manuscript proofs are available for review via a secure Web site.

Authors will access the secure site through ACS ChemWorx and will need an ACS ID. To obtain an ACS ID or to reset your password, go to https.//hp.acschemworx.acs.org.

Routine rephrasing of sentences or additions are not permitted at the manuscript proof stage.

Alterations should be restricted to serious changes in interpretation or corrections of data.

Extensive or important changes on manuscript proofs, including changes to the title or list of authors, are subject to editorial review.

It is the responsibility of the corresponding author to ensure that all authors listed on the manuscript agree with the changes made on the manuscript proofs. Manuscript proofs should be returned within 48 hours of receipt in order to ensure timely publication of the manuscript.

Correspondence regarding accepted papers and manuscript proofs should be directed to Journal Publications, American Chemical Society (e-mail: acsproof@acs.org).

Publication Date Documents accepted for publication in ACS journals will be published as “Articles ASAP” on the Web site as soon as they are ready for publication, that is, when manuscript proofs are corrected and all author concerns are resolved. Publication on the Web usually occurs within 2 to 4 weeks after the manuscript is accepted (and about 4 working days after receipt of manuscript proof corrections), and this can be anywhere from 2 to 6 weeks in advance of the cover date of the issue. Manuscripts assigned to a special issue may remain ASAP for several months. The actual date on which an accepted paper is published on the Web is recorded on the Web version of the manuscript and on the first page of the PDF version.

ACS Policies for E-prints and Reprints Under the ACS Articles on Request policy, the Society will provide (free of charge) to all contributing authors a unique URL within the ACS Web site that they may e-mail to colleagues or post on external Web sites. These author-directed links are designed to facilitate distribution of an author’s published work to interested colleagues. The ACS Articles on Request policy allows 50 downloads within the first year after Web publication and unlimited access via the same author-directed links 12 months after Web publication.





ACS AuthorChoice options establish fee-based mechanisms for authors or their research funding agencies to sponsor the open availability of final published articles on the Web. ACS AuthorChoice offers authors a wide range of open access license options, such as Creative Commons licenses and provisions for immediate or 12-month embargoed open access, and includes ACSCertifiedDeposit. Authors will find useful information about compliance with open access policies available here and FAQs here. Corresponding authors who published with ACS during 2014 may have access to ACS Author Rewards, a $60M stimulus program ACS provided to help authors transition to new open access publishing models.

Authors must sign the Journals Publishing Agreement. Forms and complete instructions are available here. After acceptance, authors will be presented with the opportunity to purchase an ACS AuthorChoice option, and authors who do so will be presented with the appropriate license at that time. For a review of all license options available, see here. For questions or further assistance with ACS AuthorChoice, please reach out to support@services.acs.org.

When the manuscript proof of a paper has been sent, authors will receive a link to a website where they may order author reprints. They may also call Cierant Corporation at 866-305-0111 from 9 a.m. to 5 p.m. EST. Reprints will be shipped within two weeks after the issue publication date. Neither the Editors nor the Washington ACS Office keeps a supply of reprints; requests for single copies of papers should be addressed to the corresponding author of the paper concerned.

Manuscript Transfer Service Occasionally editors in ACS Journals feel that manuscripts are a better fit for another ACS Journal and suggest that authors consider transferring the submission. The Manuscript Transfer Service simplifies and shortens manuscript submission to another ACS journal, as all the coauthors, suggested reviewers, manuscript files, and responses to submission questions are copied to the new submission. Once authors have selected a new journal, the journal office will facilitate the transfer to that journal.

To determine if a manuscript transfer is an appropriate next step, authors are encouraged to read “Is Manuscript Transfer Right for Me?” Authors are also reminded to review journal editorial scope statements as they consider the next destination for the submission.

Requirements of the new journal may be different, so authors should also check the Author Guidelines and make any needed revisions in order to conform to those requirements. Note that transferring a manuscript is not a guarantee that the manuscript will be accepted, as the final publication decision will belong to the editor in the next journal. Please keep in mind that the reviews, reviewer identities, and decision letter will all be transferred to the new journal. For complete details, see http://pubs.acs.org/page/policy/manuscript_transfer/index.html.

SUBMISSION OF MANUSCRIPTS

Cover Letter

All submissions must include a cover letter that includes:

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- The name and complete contact information (mailing address, telephone and fax numbers, and e-mail address) of the corresponding author. The corresponding author must be a senior researcher, not a graduate student or post-doctoral researcher.

- The names(s) of all co-author(s). These will also need to be entered in ACS Paragon Plus in the same sequence as they appear on the first page of the manuscript. Upon submission, all authors are notified, so it is the corresponding author’s responsibility to make sure that co-authors are listed and that all co-authors have approved the manuscript prior to submission. Deletion of an author after the manuscript has been submitted requires a confirmation letter addressed to the Editor-in-Chief from the author whose name is being deleted. For more information on ethical responsibilities of authors, see the EthicalGuidelinestoPublicationofChemicalResearch.

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- A list of at least four suggested reviewers (with e-mail addresses), two of whom must reside outside of the country in which the research is conducted Patent Activities and Intellectual Property Issues Authors are responsible for ensuring that all patent activities and intellectual property issues are satisfactorily resolved prior to first publication (ASAP or in issue). Acceptance and publication will not be delayed for pending or unresolved issues of this nature.

Conflict of Interest Disclosure A statement describing any financial conflicts of interest or lack thereof is published with each manuscript. During the submission process, the corresponding author must provide this statement on behalf of all authors of the manuscript. The statement should describe all potential sources of bias (including affiliations, funding sources, and financial or management relationships) that may constitute conflicts of interest (see the ACS Ethical Guidelines). The statement will be published in the final article. If no conflict of interest is declared, the following statement will be published in the article: “The authors declare no competing financial interest.” ORCID All authors are strongly encouraged to register for an ORCID iD, a unique researcher identifier.

With this standard identifier, you can create a profile of your research activities to distinguish yourself from other researchers with similar names and make it easier for your colleagues to find your publications. Learn more at http://www.orcid.org. Authors and reviewers can add their ORCID iD to, or register for an ORCID iD from, their account in ACS Paragon Plus.

Journal Publishing Agreement A properly completed and signed Journal Publishing Agreement must be submitted for each manuscript. ACS Paragon Plus provides an electronic version of the Agreement that will be available on the My Authoring Activity tab of the corresponding author's home page once the manuscript has been assigned to an Editor. A PDF version of the Agreement is also available, but authors are strongly encouraged to use the electronic Journal Publishing Agreement. If the PDF version is used, all pages of the signed PDF Agreement must be submitted. If the corresponding author cannot or should not complete either the electronic or PDF version for any reason, another author should complete and sign the PDF version of the form. Forms and complete instructions are available at http://pubs.acs.org/page/copyright/journals/index.html.

Assistance with English Language Editing Authors may want to have their manuscripts edited professionally before submission to improve clarity. The ACS ChemWorx English Editing Service can assist you in improving and polishing the language in your manuscript. You can learn more about the services offered, at http://es.acschemworx.acs.org.

MANUSCRIPT PREPARATION

Manuscripts should be clear and concise. Authors should consult The ACS Style Guide, 3rd ed.

(American Chemical Society: Washington, DC, 2006) for guidance on style, word-usage conventions, nomenclature, physical quantity symbols and units, abbreviations, use of italics, and punctuation. It is the responsibility of the authors to make sure that the manuscript is written in clear and correct English. Any author who is not fully fluent in idiomatic English should seek assistance from a colleague whose native language is English or use a language-editing service such as the ACS ChemWorx English Editing Service. It is not the responsibility of the Editor, Reviewers or Publisher to correct writing and grammar. As a result, manuscripts that do not meet required standards will be returned without review.

The required components of every manuscript are described below. Note that JCED has special requirements for Symbols, Units and Terminology, Reporting of Uncertainties, Nomenclature, Description of Chemical Samples and reporting of results in Tables. Please pay close attention to these sections below.

Table of Contents Graphic A Table of Contents (TOC) graphic is required for all manuscripts upon submission. This graphic will also be used for the graphical abstract both in the published article and on the ACS mobile application. It may also be chosen as part of the cover art collage for the issue in which the article appears. The TOC graphic should capture reader attention and, in conjunction with the manuscript title, give readers a quick visual impression of the essence of the manuscript. The TOC graphic should be in the form of a structure, graph with labels, drawing, image or micrograph. It should be a distinct graphic, not identical to one of the figures from the article.



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