NOTICE TO AUTHORS

(Revised December 2016)

Contents (Click on the topic)

Manuscript Types Articles Perspectives Letters | Preparation of Manuscript Preparation Title

Text ACS Math Style Using TeX/LaTeX Graphics Quality Chemical Structures Nomenclature
Experimental Safety Supporting Information Journal Publishing Agreement Professional Ethics
Table of Contents and Abstract Graphic for Submissions Conflict of Interest Disclosure Author List
Institution Identification | Submission of Manuscript Cover Letter Submission Funding Sources |
Revision of Manuscript | Publication of Manuscript Just Accepted Manuscripts Proofs Articles
ASAP | ACS Policies for E-prints and Reprints

The Journal of Chemical Theory and Computation invites new and original contributions with
the understanding that, if accepted, they will not be published elsewhere. Papers reporting new
theories, methodology, and/or important applications in quantum electronic structure, molecular
dynamics, and statistical mechanics are appropriate for submission to this Journal. Specific
topics include advances in or applications of ab initio quantum mechanics, density functional
theory, design and properties of new materials, surface science, Monte Carlo simulations,
solvation models, QM/MM calculations, biomolecular structure prediction, and molecular
dynamics in the broadest sense including gas-phase dynamics, ab initio dynamics, biomolecular
dynamics, and protein folding. The Journal does not consider papers that are straightforward
applications of known methods including DFT and molecular dynamics. The Journal favors
submissions that include advances in theory or methodology with applications to compelling
problems.

Manuscript Types
Articles. Full-length research manuscripts, consistent with the objectives of The Journal of
Chemical Theory and Computation, are the principal focus of the Journal. Authors must follow
the instructions for preparation and submission given below.

Perspectives. Perspectives are interpretive accounts on subjects of current interest to the JCTC
community. This series is intended to be a forum for experts to present their perspectives on
emerging or active areas of research.

Letters. Letters are intended for rapid publication of preliminary reports on important findings of
novel and timely significance. The major concepts of the paper should not have been published
previously. Manuscripts are limited to four journal pages (16 double-spaced manuscript pages
including all materials). The abstract is limited to 75 words and should briefly state the purpose
of the research, principal results, and major conclusions.
1
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/.

Manuscripts must be submitted electronically via the secure Web site at

http://pubs.acs.org/page/4authors/submission/index.html. Guidelines for this method are
provided here.

For further inquiries contact the Editors-in-Chief. Prof. William L. Jorgensen, Department of
Chemistry, Yale University, P.O. Box 208107, New Haven, CT 06520-8107. Phone: 203-432-
4118. Fax: 202-513-8628. E-mail: jorgensen-office@jctc.acs.org. Prof. Gustavo E. Scuseria,
Department of Chemistry, MS-60, Rice University, 6100 Main Street, P.O. Box 1892, Houston,
TX 77251-1892. Phone: (713) 348-5336. Fax: (202) 559-0888. E-mail: scuseria-
office@jctc.acs.org.

2
Preparation of Manuscript

Preparation. The manuscript should be prepared, preferably with a word-processing package,

using all the guidelines described. The title, abstract, text, and references should be prepared as
described below. Detailed instructions for submitting via the Web, including templates and
directions for preparing and including graphics, are available at
http://pubs.acs.org/page/4authors/submission/index.html. A separate file containing a cover letter
must also be prepared.
A guide to the proper format for manuscripts is provided on the Journals Web page, at
http://pubs.acs.org/page/jctcce/submission/index.html. Another valuable resource is The ACS
Style Guide, 3rd ed. (2006) available from Oxford University Press, Order Department, 201
Evans Rd, Cary, NC 27513. This book deals with all questions relating to manuscript style and
provides the standard list of abbreviations for ACS Journals.

Authors must be sure that they are familiar with and abide by the Ethical Guidelines that are also
available on the Web site and in The ACS Style Guide.

Title. The title of the paper should be briefpreferably 12 words or fewer. Readers rarely read
and absorb longer titles, so it should be concise. An abstract of 3-4 sentences is required, and as
with the title, it should be concise, touching on just the major points about which the author
wants to alert the reader.

Text. A list of currently acceptable software packages can be found at

http://pubs.acs.org/page/4authors/submission/index.html.
The article should conform to the usual ACS format, using the article template available online at
ACS Paragon Plus. The final version should be prepared in a single word-processor file, with all
graphics included.

The word-processor file should be saved in a document format (.wpd or .doc) not in the .txt or
ASCII formats, which do not support enhancements such as subscripts. Text should be single-
column, fully justified. If a non-Western version of the word-processing software is used, the file
should be saved in rich-text format (RTF). Each file should be checked with an up-to-date virus
detection program. The presence of a virus may delay publication.

The fonts Times and Symbol produce the best results. Other fonts, particularly those that do
not come bundled with the system software, may not translate properly. All special characters
(e.g., Greek characters, math symbols, etc.) must be present in the body of the text as characters
and not as graphic representations.

3
ACS Math Style. Authors including math, display or in-text, in their manuscripts are
encouraged to consult the ACS Guidelines for Presenting Mathematical Information. This style
sheet provides brief discussion of formatting related to the presentation of mathematical
formulas, complete with examples of ACS style and layout. This document was developed to
help authors anticipate how mathematical expressions will be formatted in the published version
of the paper.

Using TeX/LaTeX. Authors who submit manuscripts composed in TeX/LaTeX should submit a
PDF file of the manuscript along with the native TeX/LaTeX manuscript package as a ZIP
Archive. Use of the freely available achemso style package to help prepare your submission is
strongly encouraged. The achemso package provides the official macros (achemso.cls) and
BibTeX styles (achemso.bst and biochem.bst) for submission to ACS journals. The package and
instructions are available from CTAN, the Comprehensive TeX Archive Network. For complete
information on submitting TeX/LaTeX files, see Preparing and Submitting Manuscripts Using
TeX/LaTeX.

Graphics Quality. The quality of the graphics in the Journal depends on the quality of the
originals provided by the author. Figures cannot be modified or enhanced by the Journal
production staff. Whenever possible, the graphics files furnished by authors with Web
submissions are used in production of the Journal.
To facilitate the publication process, please submit manuscript graphics using the following
guidelines:

1. The preferred submission procedure is to embed graphic files in a Word document. It

may help to print the manuscript on a laser printer to ensure all artwork is clear and
legible.
2. Additional acceptable file formats are: TIFF, PDF, EPS (vector artwork) or CDX
(ChemDraw file). If submitting individual graphic files in addition to them being
embedded in a Word document, ensure the files are named based on graphic function (i.e.
Scheme 1, Figure 2, Chart 3), not the scientific name. Labeling of all figure parts should
be present and the parts should be assembled into a single graphic.
EPS files: Ensure that all fonts are converted to outlines or embedded in the graphic file.
The document settings should be in RGB mode. NOTE: While EPS files are accepted,
the vector-based graphics will be rasterized for production. Please see below for TIFF
file production resolutions.
3. TIFF files (either embedded in a Word doc or submitted as individual files) should have
the following resolution requirements:

- Black & White line art: 1200 dpi

- Grayscale art (a monochromatic image containing shades of gray): 600 dpi

- Color art (RGB color mode): 300 dpi

The RGB and resolution requirements are essential for producing high-quality graphics
within the published manuscript. Graphics submitted in CMYK or at lower resolutions
4
 may be used; however, the colors may not be consistent and graphics of poor quality
may not be able to be improved.
Most graphic programs provide an option for changing the resolution when you are
saving the image. Best practice is to save the graphic file at the final resolution and size
using the program used to create the graphic.
4. Graphics should be sized at the final production size when possible. Single column
graphics are preferred and can be sized up to 240 points wide (3.33 in.). Double column
graphics must be sized between 300 and 504 points (4.167 in. and 7 in.). All graphics
have a maximum depth of 660 points (9.167 in.) including the caption (please allow 12
pts for each line of caption text).
Consistently sizing letters and labels in graphics throughout your manuscript will help
ensure consistent graphic presentation for publication.
5. A graphic should be submitted for use in the Table of Contents and Abstract. This
graphic should give the reader a quick visual representation of the essence of the paper
without providing specific details. The best images for these uses are simple, relatively
free of text and technical characters, and make use of color for visual impact.
6. For more information, please visit
http://pubs.acs.org/page/4authors/submission/index.html.
Color graphics should only be submitted if essential for clarity of communication. Color
reproduction will be provided at no cost to the author. Hard copy reprints of articles containing
color graphics, however, will be subject to a surcharge of $100 per 100 reprints, in addition to
the normal reprint charges.

Chemical Structures. Structures should be produced with the use of a drawing program such as
ChemDraw. Structure drawing preferences (preset in the ACS Stylesheet in ChemDraw) are as
follows:
(1) As drawing settings select:

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) As text settings select:

font Arial/Helvetica
size 10 pt
(3) Under the preferences choose:

units points

5
 tolerances 5 pixels
(4) Under page setup choose:

Paper US Letter
Scale 100%
Other drawing packages should, as much as possible, be modified so that the parameters reflect
the above guidelines.

Nomenclature. It is the responsibility of the authors to provide correct nomenclature.

Nomenclature should conform with current American usage. Insofar as possible, authors should
use systematic names, either Chemical Abstracts Service or IUPAC, in the Experimental Section.
Chemical Abstracts (CA) nomenclature rules are described in Appendix IV of the Chemical
Abstracts Index Guide. For CA nomenclature advice, authors should consult the Manager of
Nomenclature Services, Chemical Abstracts Service, P.O. Box 3012, Columbus, OH 43210-
0012. A name generation service is available for a fee through CAS Client Services, 2540
Olentangy River Road, P.O. Box 3343, Columbus, OH 43210-0334; telephone (614) 447-3870;
fax (614) 447-3747; or e-mail answers@cas.org. It is also acceptable to use semisystematic or
generic names for certain specialized classes of compounds. In such a case, the name should
conform to the generally accepted nomenclature conventions for the compound class. Chemical
names for drugs are preferred. If these are not practical, generic names, or names approved by
the U.S. Adopted Names Council (USAN), or those approved by the World Health Organization
(WHO) may be used. Registered trademark names or code numbers for drugs can be included in
parentheses after a descriptive term in the title and should be used only once in the text;
subsequently, their chemical names or compound numbers should be used. In certain cases,
compounds that are widely employed as research tools and recognized primarily by code
numbers may be designated by their code numbers. If a generic name is employed, its chemical
name or structural formula should be given at the point of first citation.

Experimental Safety. Authors must emphasize any unexpected, new, and/or significant hazards
or risks associated with the reported work. This information should be in the experimental details
section of the full article or communication.

References. References in the text should be identified with superscript numbers (e.g., Jones14
has shown...). In the Web edition of the Journal, each reference has a CAS tag that can be used
by readers to retrieve the corresponding CAS abstract, and for this to be successful, accuracy in
the reference is critical. References must contain the title, abbreviated source journal, year,
volume, and starting and ending pages of the paper cited, thus
(8) Sustmann, R.; Sicking, W.; Huisgen, R. A Computational Study of the Cycloaddition
of Thiobenzophenone S-Methylide to Thiobenzophenone. J. Am. Chem. Soc. 2003, 125,
1442514434.

References to books should cite the author(s), title, publisher, publisher location, publication
date, and page(s). In referring to a book written by various contributors, the author(s) should be
cited first, as in

(8) Weinstein, S.; Henderson, R. B. In Heterocyclic Compounds; Elderfield, R. C., Ed.;

Wiley: New York, 1950; Vol. 1, Chapter 1, pp 6065.
6
When references concerning related work by the author are quoted and such work is not
available to the referees because it is in press or has been submitted to this or other journals, an
electronic copy should be submitted with the manuscript as Supporting Information for Review
only, for use by the referees and the Editor.

For work published online (Just Accepted Manuscripts, ASAP) and work submitted for
publication (e.g., submitted, in press), the DOI should be furnished in addition to the standard
bibliographic information. Authors are given instruction for citing work by DOI in an e-mail
communication when manuscript proofs are made available. A DOI is assigned to each
manuscript and should be in the form http://dx.doi.org/10.1021/ct000000a. DOI is an accepted
form of citation before and after the article appears in an issue.

Supporting Information. Authors are encouraged to use Supporting Information (SI) in cases
where manuscripts contain extensive tables of data or source codes that are of interest to
particular readers. The pages of SI should be numbered sequentially, should be labeled as SI, and
should be readily legible. The production staff will not alter the appearance of Supporting
Information.
For Supporting Information included with the manuscript, files must be identified as publish or
review only. SI should not be included in the manuscript file but should be contained in its own
separate file. Supporting Information must be submitted at the same time as the manuscript and
uploaded separately to the ACS Paragon Plus Environment. A list of acceptable file types is
available on the Web. All Supporting Information files of the same type should be prepared as a
single file (rather than submitting a series of files containing individual images or structures). For
example, all Supporting Information available as PDF files should be contained in one PDF file.

If the manuscript is accompanied by any supporting information files for publication, a brief
description of each file is required. The paragraph and descriptions should be placed at the end of
the manuscript before the list of references.

DO NOT UPLOAD FIGURES AND TABLES THAT ARE TO BE PUBLISHED IN THE

ARTICLE INTO THE SUPPORTING INFORMATION FILE.

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 Improving Your Manuscript. Authors may want professional assistance with
improving the English, figures or formatting in their manuscript before submission. ACS
ChemWorx Authoring Services can save you time and improve the communication of research

7
in your manuscript. You can learn more about the services offered at
http://es.acschemworx.acs.org.

Table of Contents and Abstract Graphic for Submissions. Authors are required to include a
Table of Contents (TOC)/Abstract (Abs) graphic with each Article, Perspective, or Letter. This
graphic should capture the readers attention and, in conjunction with the manuscript title, should
give the reader a quick visual impression of the essence of the paper. The TOC/Abs graphic
should be in the form of a structure, graph, drawing, or reaction scheme. Tables or spectra are
not acceptable. Color is encouraged and will be free of charge upon approval of the Editor. The
author should submit a graphic in the actual size to be used for the TOC that will fit in an area
1.375 in. high and 3.5 in. wide (3.6 cm 8.9 cm). Larger images will be reduced to fit within
those dimensions. Type size of labels, formulas, or numbers within the graphic must be legible.
The page should be labeled for Table of Contents use only and contain the title and authors of
the paper. This item should be appended as the last page of the manuscript.

Complete instructions for preparing the graphic are available at

http://pubs.acs.org/paragonplus/submission/toc_abstract_graphics_guidelines.pdf [PDF].

Submitting Artwork for the Journal Cover. JCTC features a different image on the cover of
each issue. If you have a visually arresting and scientifically interesting image that is related to
your work that is being published in a particular issue, it can be submitted for consideration.
Images to be considered for the cover should be submitted as TIF, EPS, or high-resolution PDF
files with a resolution of at least 300 dpi for pixel-based images. The image size is 8.5 in 8.8
in., 21.6 cm 22.4 cm, or 2530 pixels 2640 pixels. More information may be found in the
Digital Image Guidelines for Journal Cover Graphics in the ACS Paragon Plus Environment.
Please include a separate Journal Publishing Agreement (for unpublished images) or written
permission to reproduce in all media (for previously published images) for each image
submitted, the name of the person who created the image, and a brief description of the image.
Please submit your graphics to be considered for a JCTC cover to jorgensen-office@jctc.acs.org
and/or scuseria-office@jctc.acs.org.

8
Professional Ethics. In publishing only original research, ACS is committed to deterring
plagiarism, including self-plagiarism. ACS Publications uses CrossCheck's iThenticate software
to screen submitted manuscripts for similarity to published material. Note that your manuscript
may be screened during the submission process. Further information about plagiarism can be
found in Part B of the Ethical Guidelines to Publication of Chemical Research.

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 (please 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.

Author List. During manuscript submission, the submitting author must provide contact
information (full name, email address, institutional affiliation and mailing address) for all of the
co-authors. Because all of the author names are automatically imported into the electronic
Journal Publishing Agreement, the names must be entered into ACS Paragon Plus in the same
sequence as they appear on the first page of the manuscript. (Note that co-authors are not
required to register in ACS Paragon Plus.) The author who submits the manuscript for
publication accepts the responsibility of notifying all co-authors that the manuscript is being
submitted. Deletion of an author after the manuscript has been submitted requires a confirming
letter to the Editor-in-Chief from the author whose name is being deleted. For more information
on ethical responsibilities of authors, see the Ethical Guidelines to Publication of Chemical
Research.

Institution Identification. Many Funders and Institutions require that institutional affiliations
are identified for all authors listed in the work being submitted. ACS facilitates this requirement
by collecting institution information during manuscript submission under Step 2: Authors and
Affiliations in ACS Paragon Plus.

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 (Just Accepted, ASAP, or in issue). Acceptance and publication will not be delayed
for pending or unresolved issues of this nature.

Submission of Manuscript

Cover Letter. A cover letter must accompany every manuscript. The cover letter is a word-
processor or PDF file that is uploaded at the same time as the manuscript file. The cover letter
should include (1) the corresponding authors name, postal and e-mail addresses, and telephone
and fax numbers; (2) the title of the manuscript and a brief paragraph pointing out the
significance of the reported work; (3) indication of whether the manuscript is being submitted as
an Article, Perspective, or Letter; and (4) the names, institutional affiliations, and postal and e-
mail addresses of three scientists qualified to act as reviewers. The Editors will also use
reviewers of their own choice.

9
Submission. Manuscripts must be submitted via the ACS Paragon Plus Environment
(http://paragonplus.acs.org/login). It is required that the names and e-mail addresses of at least
three reviewers be included/provided when submitting the paper in Paragon Plus. Complete
instructions and an overview of the electronic online (Web) submission process are available
through the secure ACS Paragon Plus Web site. Authors must also submit all revisions of
manuscripts via the ACS Paragon Plus Environment. The Web submission site employs state-of-
the-art security mechanisms to ensure that all electronically submitted papers are secure. These
same security mechanisms are also utilized throughout the peer-review process, permitting
access only to editors and reviewers who are assigned to a particular paper.

If substantially the same manuscript has been previously submitted to this Journal or to another
ACS journal, the author should include copies of the reviews with the submission and explain
any revisions in the cover letter. The Editor may accept the manuscript on the basis of those
reviews and author remarks or may seek additional reviews.

Funding Sources. Authors are required to report ALL funding sources and grant/award numbers
relevant to this manuscript. Enter all sources of funding for ALL authors relevant to this
manuscript in BOTH the Open Funder Registry tool in ACS Paragon Plus and in the manuscript
to meet this requirement. See http://pubs.acs.org/page/4authors/funder_options.html for complete
instructions.

Revision of Manuscript
When reviews of the paper have been completed, they will be sent to the author electronically by
e-mail. The manuscript should be revised so as to address each one of the comments made by the
reviewers. Then, the manuscript should be resubmitted through the Web site following the steps
for submitting a revised manuscript. A letter describing the responses made by the author to each
of the comments from the reviewers should also be sent. This letter is required and can be
submitted over the Web along with the revised manuscript. A Journal Publishing Agreement is
also required; the paper will not be processed further until both of these documents are
received. Forms and complete instructions for the Journal Publishing Agreement are available
at http://pubs.acs.org/page/copyright/journals/index.html.

Publication of Manuscript

When the paper is either rejected or accepted, the corresponding author will be notified
electronically of the decision.

Manuscript Transfer Service

If your submission is declined for publication by this journal, the editors might deem your work
to be better suited for another ACS Publications journal and suggest that the authors consider
transferring the submission. The Manuscript Transfer Service simplifies and shortens the process
of submitting to another ACS journal, as all the coauthors, suggested reviewers, manuscript files,
and responses to submission questions are copied by ACS Paragon Plus to the new draft
submission. Authors are free to accept or decline the transfer offer.
10
Once a transfer is accepted, authors will then complete the submission to the new journal in ACS
Paragon Plus. During the submission process, they will have the opportunity to revise the
manuscript and address comments received from editors or reviewers. Requirements of the new
journal may be different, so authors should also check the Author Guidelines for the new journal
and make any needed revisions in order to conform to those requirements. Please keep in mind
that the reviews, reviewer identities, and decision letter will all be transferred to the new journal.
Authors are encouraged to identify changes made to the manuscript in a cover letter for the new
journal.

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 new journal. For complete details, see
http://pubs.acs.org/page/policy/manuscript_transfer/index.html.

Just Accepted Manuscripts. Just Accepted manuscripts are peer-reviewed, accepted manuscripts
that are posted on the ACS Publications website prior to technical editing, formatting for publication,
and author proofingusually within 30 minutes to 24 hours of acceptance by the editorial office.
During the manuscript submission process, Authors can choose to have their manuscript posted
online as a Just Accepted manuscript. When authors choose to do so, the Just Accepted manuscript is
considered the first publication of the paper. To ensure rapid delivery of the accepted manuscript to
the Web, Authors must adhere carefully to all requirements in the journals Guide for Authors. For
further information, please refer to the Just Accepted FAQ, accessible from http://help.acs.org. Note
that publishing a manuscript as Just Accepted is not a means by which to comply with the NIH
Public Access Mandate.

Proofs. The corresponding author of an accepted manuscript will receive e-mail notification and
complete instructions when page 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 www.acschemworx.org. Proofs should be verified against the
final manuscript and corrected, as necessary. Once the galley corrections have been returned, the
authors work is complete.
Routine rephrasing of sentences or additions are not permitted at the page proof stage.
Alterations should be restricted to serious changes in interpretation or corrections of data.
Extensive or important changes on page 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 proofs. Galley proofs should be returned within
48 h of receipt in order to ensure timely publication of the manuscript.

Articles ASAP. Papers accepted for publication in the Journal will be published on the Articles
ASAP page on the Journal Web site as soon as page proofs are corrected and all author
concerns are resolved (may be within 1 to 4 days). Publication on the Web usually occurs within
4 working days of receipt of page proof corrections, and this can be as much as 11 weeks prior to
appearance of the published issue version. Manuscripts assigned to a special issue often remain
published ASAP for several months. Once a manuscript appears on the Web, it is published.
For papers that were not published as Just Accepted manuscripts, this is the first publication. Any
change after ASAP publication must be considered additions or corrections. The actual date on

11
which an accepted paper is published on the Web (Just Accepted or ASAP) is recorded on the
Web version of the manuscript and on the first page of the PDF version.
There is no page charge associated with publication of papers in the Journal, and there is no
charge for publication of color diagrams or figures. If the paper contains color graphics, a
surcharge of $100 per 100 reprints will be added to the normal charge for reprints.

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 authors published work to interested colleagues in lieu of direct distribution of the PDF
file by the author. 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 Open Access

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 ACS Certified Deposit. 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 authors are sent the proof of their paper, they will receive a link to a website where they
may order paper reprints. They may also call Cierant Corporation at 866-305-0111 from 9AM to
5PM 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.

ORCID
Authors submitting manuscript revisions are required to provide their own personal, validated
ORCID iD before completing the submission, if an ORCID iD is not already associated with
their ACS Paragon Plus user profiles. This iD may be provided during original manuscript
submission or when submitting the manuscript revision. All authors are strongly encouraged to
register for an ORCID iD, a unique researcher identifier. The ORCID iD will be displayed in the

12
published article for any author on a manuscript who has a validated ORCID iD associated with
ACS when the manuscript is accepted.

With an ORCID iD, 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. If you do not yet have an ORCID iD, or wish to associate your existing ORCID iD
with your ACS Paragon Plus account, you may do so by following the ORCID-related links in
the Email/Name section of your ACS Paragon Plus account. Learn more at http://www.orcid.org.

13