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 reference managers.
BibTeX	BibTeX styles 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)

Klar, A. J. S. Fibonacci’s Flowers. Nature 2002, 417 (6889), 595.

A journal article with 2 authors

(1)

Rudolph, M. L.; Zhong, S. Does Quadrupole Stability Imply LLSVP Fixity? Nature 2013, 503 (7477), E3-4.

A journal article with 3 authors

(1)

Li, F.; Martienssen, R.; Cande, W. Z. Coordination of DNA Replication and Histone Modification by the Rik1-Dos2 Complex. Nature 2011, 475 (7355), 244–248.

A journal article with 4 or more authors

(1)

Thompson, R. C.; Olsen, Y.; Mitchell, R. P.; Davis, A.; Rowland, S. J.; John, A. W. G.; McGonigle, D.; Russell, A. E. Lost at Sea: Where Is All the Plastic? Science 2004, 304 (5672), 838.

Books and book chapters

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

An authored book

(1)

Chan, N. H.; Wong, H. Y. Handbook of Financial Risk Management; John Wiley & Sons, Inc.: Hoboken, NJ, 2013.

An edited book

(1)

Visual Prosthetics: Physiology, Bioengineering, Rehabilitation; Dagnelie, G., Ed.; Springer US: Boston, MA, 2011.

A chapter in an edited book

(1)

Liu, H.; Silva, E. A.; Wang, Q. Simulating the Dynamics of Creative Industries’ Interactions with Urban Land Use by Agent-Based Modelling. In Creative Industries and Urban Spatial Structure: Agent-based Modelling of the Dynamics in Nanjing; Silva, E. A., Wang, Q., Eds.; Advances in Asian Human-Environmental Research; Springer International Publishing: Cham, 2015; pp 101–133.

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)

Davis, J. North American Dogs Evolved In Response To Climate Change. IFLScience. https://www.iflscience.com/plants-and-animals/north-american-dogs-evolved-response-climate-change/ (accessed 2018-10-30)

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. Federal Short Takeoff and Landing Transport Programs: Status and Needs; 101787; U.S. Government Printing Office: Washington, DC, 1977.

Theses and dissertations

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

Doctoral dissertation

(1)

Lim, T. Information-Theoretic Aspects of Signal Analysis and Reconstruction. Doctoral dissertation, University of California San Diego, 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)

Saslow, L. Town of Oyster Bay Seeks To Develop Waterfront Plan. New York Times. January 28, 2007, p 14LI2.

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