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
J. Shanklin, Reflections on the ozone hole, Nature. 465 (2010) 34–35.
A journal article with 2 authors
D.A. Hogan, R. Kolter, Pseudomonas-Candida interactions: an ecological role for virulence factors, Science. 296 (2002) 2229–2232.
A journal article with 3 authors
I. Halevy, M.T. Zuber, D.P. Schrag, A sulfur dioxide climate feedback on early Mars, Science. 318 (2007) 1903–1907.
A journal article with 4 or more authors
H. Yang, G. Luo, P. Karnchanaphanurach, T.-M. Louie, I. Rech, S. Cova, L. Xun, X.S. Xie, Protein conformational dynamics probed by single-molecule electron transfer, Science. 302 (2003) 262–266.

Books and book chapters

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

An authored book
A.E. Williams, Immunology, John Wiley & Sons, Ltd, Chichester, UK, 2011.
An edited book
G. Lazaridis, G. Campani, A. Benveniste, eds., The Rise of the Far Right in Europe: Populist Shifts and “Othering,” Palgrave Macmillan UK, London, 2016.
A chapter in an edited book
M. Boos, K. Wanat, J. Treat, Cutaneous Emergencies in the HIV-Positive Patient, in: B. Buka, A. Uliasz, K. Krishnamurthy (Eds.), Buka’s Emergencies in Dermatology, Springer, New York, NY, 2013: pp. 83–101.

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
J. O`Callaghan, This Hair Dye Changes Color Depending On The Temperature Around You, IFLScience. (2017). (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, Broadband: Intended Outcomes and Effectiveness of Efforts to Address Adoption Barriers Are Unclear, U.S. Government Printing Office, Washington, DC, 2015.

Theses and dissertations

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

Doctoral dissertation
K.A. Vento, The Effects of Progressive Muscle Relaxation on the Subjective Well-Being of Collegiate Athletes, Doctoral dissertation, California State University, Long Beach, 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
B. Sisario, You’re a Bot? Rock On, New York Times. (2017) B1.

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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