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
A. Hodges, The man behind the machine, Nature. 482 (2012) 441.
A journal article with 2 authors
A. Gfeller, E.E. Farmer, Keeping the leaves green above us, Science. 306 (2004) 1515–1516.
A journal article with 3 authors
J.U.L. Baldini, F. McDermott, I.J. Fairchild, Structure of the 8200-year cold event revealed by a speleothem trace element record, Science. 296 (2002) 2203–2206.
A journal article with 4 or more authors
S. Gleyzes, S. Kuhr, C. Guerlin, J. Bernu, S. Deléglise, U. Busk Hoff, M. Brune, J.-M. Raimond, S. Haroche, Quantum jumps of light recording the birth and death of a photon in a cavity, Nature. 446 (2007) 297–300.

Books and book chapters

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

An authored book
E. Lafontaine, M. Comet, Nanothermites, John Wiley & Sons, Inc., Hoboken, NJ, 2016.
An edited book
S. Hamby, The Web of Violence: Exploring Connections Among Different Forms of Interpersonal Violence and Abuse, Springer Netherlands, Dordrecht, 2013.
A chapter in an edited book
M. Huang, B. Xia, Y. Zou, P. Jiang, Y. Feng, Z. Cheng, Y. Mo, No-Till Direct Seeding for Energy-Saving Rice Production in China, in: E. Lichtfouse (Ed.), Farming for Food and Water Security, Springer Netherlands, Dordrecht, 2012: pp. 111–126.

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
E. Andrew, What Might Pluto Sound Like? Our Musical Love Affair With The Cosmos, IFLScience. (2015). (accessed October 30, 2018).


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, Talking Books for the Blind, U.S. Government Printing Office, Washington, DC, 2007.

Theses and dissertations

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

Doctoral dissertation
M.C. Mason, A Heart Like a Fakir’s The Life and Times of General Sir James Abbott, KCB, Doctoral dissertation, George Washington University, 2013.

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
B. Kenigsberg, Master, New York Times. (2017) C12.

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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