How to format your references using the Computational and Theoretical Chemistry citation style

This is a short guide how to format citations and the bibliography in a manuscript for Computational and Theoretical Chemistry. 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:

PaperpileThe citation style is built in and you can choose it in Settings > Citation Style or Paperpile > Citation Style in Google Docs.
EndNoteDownload the output style file
Mendeley, Zotero, Papers, and othersThe style is either built in or you can download a CSL file that is supported by most references management programs.
BibTeXBibTeX 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
N.L. Letvin, Virology. Moving forward in HIV vaccine development, Science. 326 (2009) 1196–1198.
A journal article with 2 authors
N. Stern, C. Taylor, Economics. Climate change: risk, ethics, and the Stern Review, Science. 317 (2007) 203–204.
A journal article with 3 authors
R.C. Rhew, B.R. Miller, R.F. Weiss, Natural methyl bromide and methyl chloride emissions from coastal salt marshes, Nature. 403 (2000) 292–295.
A journal article with 4 or more authors
P. Yin, H.M.T. Choi, C.R. Calvert, N.A. Pierce, Programming biomolecular self-assembly pathways, Nature. 451 (2008) 318–322.

Books and book chapters

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

An authored book
R.L. Freeman, Reference Manual for Telecommunications Engineering, John Wiley & Sons, Inc., Hoboken, NJ, 2002.
An edited book
S.O. Duffuaa, Planning and Control of Maintenance Systems: Modelling and Analysis, 2nd ed. 2015, Springer International Publishing, Cham, 2015.
A chapter in an edited book
L. Kocsis, C. Szepesvári, M.H.M. Winands, RSPSA: Enhanced Parameter Optimization in Games, in: H.J. van D. Herik, S.-C. Hsu, T.-S. Hsu, H.H.L.M. (jeroen) Donkers (Eds.), Advances in Computer Games: 11th International Conference, ACG 2005, Taipei, Taiwan, September 6-9, 2005. Revised Papers, Springer, Berlin, Heidelberg, 2006: pp. 39–56.

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 Computational and Theoretical Chemistry.

Blog post
R. Andrews, Cats Murder More Than 80 Different Species Of American Birds And Mammals, IFLScience. (2016).


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
Government Accountability Office, Content Analysis: A Methodology for Structuring and Analyzing Written Material, U.S. Government Printing Office, Washington, DC, 1996.

Theses and dissertations

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

Doctoral dissertation
J.F. Etchberger, The cis-regulatory logic of gustatory neuron development in Caenorhabditis elegans, Doctoral dissertation, Columbia University, 2008.

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
M. Billard, Fitting More Into That Bag, New York Times. (2010) E4.

In-text citations

References should be cited in the text by sequential numbers in square brackets:

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 titleComputational and Theoretical Chemistry
AbbreviationComput. Theor. Chem.
ISSN (print)2210-271X
Physical and Theoretical Chemistry
Condensed Matter Physics

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