How to format your references using the Journal of Chemical Theory and Computation citation style

This is a short guide how to format citations and the bibliography in a manuscript for Journal of Chemical Theory and Computation. For a complete guide how to prepare your manuscript refer to the journal's instructions to authors.

Using reference management software

Typically you don't format your citations and bibliography by hand. The easiest way is to use a reference manager:

Paperpile	The citation style is built in and you can choose it in Settings > Citation Style or Paperpile > Citation Style in Google Docs.
EndNote	Download the output style file
Mendeley, Zotero, Papers, and others	The style is either built in or you can download a CSL file that is supported by most references management programs.
BibTeX	BibTeX syles are usually part of a LaTeX template. Check the instructions to authors if the publisher offers a LaTeX template for this journal.

Journal articles

Those examples are references to articles in scholarly journals and how they are supposed to appear in your bibliography.

Not all journals organize their published articles in volumes and issues, so these fields are optional. Some electronic journals do not provide a page range, but instead list an article identifier. In a case like this it's safe to use the article identifier instead of the page range.

A journal article with 1 author

(1)

Howard, K. San Diego. Nature 2003, 426 (6967), 689.

A journal article with 2 authors

(1)

Xiol, J.; Pillai, R. S. Molecular Biology. Outsourcing Genome Protection. Science 2012, 337 (6094), 529–530.

A journal article with 3 authors

(1)

Bishop, J. R.; Schuksz, M.; Esko, J. D. Heparan Sulphate Proteoglycans Fine-Tune Mammalian Physiology. Nature 2007, 446 (7139), 1030–1037.

A journal article with 11 or more authors

(1)

Corte-León, H.; Nabaei, V.; Manzin, A.; Fletcher, J.; Krzysteczko, P.; Schumacher, H. W.; Kazakova, O. Anisotropic Magnetoresistance State Space of Permalloy Nanowires with Domain Wall Pinning Geometry. Sci. Rep. 2014, 4, 6045.

Books and book chapters

Here are examples of references for authored and edited books as well as book chapters.

An authored book

(1)

Nordenström, J. The Hunt for the Parathyroids; John Wiley & Sons: Oxford, 2012.

An edited book

(1)

My Personal Adaptive Global NET (MAGNET); Prasad, R., Ed.; Signals and Communication Technology; Springer Netherlands: Dordrecht, 2010.

A chapter in an edited book

(1)

Schmitt, A.-D. Earth-Surface Ca Isotopic Fractionations. In Calcium Stable Isotope Geochemistry; Schmitt, A.-D., Heuser, A., Wombacher, F., Dietzel, M., Tipper, E., Schiller, M., Eds.; Advances in Isotope Geochemistry; Springer: Berlin, Heidelberg, 2016; pp 145–172.

Web sites

Sometimes references to web sites should appear directly in the text rather than in the bibliography. Refer to the Instructions to authors for Journal of Chemical Theory and Computation.

Blog post

(1)

Andrew, E. What Does Australia’s New 2030 Climate Target Mean For The Local Coal Industry? IFLScience.

Reports

This example shows the general structure used for government reports, technical reports, and scientific reports. If you can't locate the report number then it might be better to cite the report as a book. For reports it is usually not individual people that are credited as authors, but a governmental department or agency like "U. S. Food and Drug Administration" or "National Cancer Institute".

Government report

(1)

Government Accountability Office. FASAB Volume 1 Original Statements: Statements of Federal Financial Accounting Concepts and Standards; AIMD-21.1.1; U.S. Government Printing Office: Washington, DC, 1997.

Theses and dissertations

Theses including Ph.D. dissertations, Master's theses or Bachelor theses follow the basic format outlined below.

Doctoral dissertation

(1)

Pestano, A. C. The Utilization of a Web-Based Internet Application to Improve Access and Efficiency of In-Home Care Services Provided by Personal Care Aides. Doctoral dissertation, California State University, Long Beach, Long Beach, CA, 2017.

News paper articles

Unlike scholarly journals, news papers do not usually have a volume and issue number. Instead, the full date and page number is required for a correct reference.

New York Times article

(1)

Kelly, D. Sex and Drugs and Mick and Keith. New York Times. October 16, 1994, p 737.

In-text citations

References should be cited in the text by sequential numbers in superscript:

This sentence cites one reference ¹.
This sentence cites two references ^1,2.
This sentence cites four references ^1–4.

About the journal

Full journal title	Journal of Chemical Theory and Computation
Abbreviation	J. Chem. Theory Comput.
ISSN (print)	1549-9618
ISSN (online)	1549-9626
Scope	Physical and Theoretical Chemistry Computer Science Applications