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
S. Rastan, Mary F. Lyon (1925-2014), Nature. 518 (2015) 36.
A journal article with 2 authors
J.B. Zimmerman, P.T. Anastas, Chemistry. Toward substitution with no regrets, Science. 347 (2015) 1198–1199.
A journal article with 3 authors
D.R. Warrick, B.W. Tobalske, D.R. Powers, Aerodynamics of the hovering hummingbird, Nature. 435 (2005) 1094–1097.
A journal article with 4 or more authors
V. Novotny, Y. Basset, S.E. Miller, G.D. Weiblen, B. Bremer, L. Cizek, P. Drozd, Low host specificity of herbivorous insects in a tropical forest, Nature. 416 (2002) 841–844.

Books and book chapters

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

An authored book
C. Saccone, G. Pesole, Handbook of Comparative Genomics, John Wiley & Sons, Inc., Hoboken, NJ, 2005.
An edited book
G.W. Peters, T. Matsui, eds., Modern Methodology and Applications in Spatial-Temporal Modeling, Springer Japan, Tokyo, 2015.
A chapter in an edited book
Y. Chen, A. Linderholt, T. Abrahamsson, Frequency Response Calculations of a Nonlinear Structure a Comparison of Numerical Methods, in: G. Kerschen (Ed.), Nonlinear Dynamics, Volume 2: Proceedings of the 32nd IMAC, A Conference and Exposition on Structural Dynamics, 2014, Springer International Publishing, Cham, 2014: pp. 35–44.

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
B. Taub, Amazon Completes First Drone Delivery In Just 13 Minutes, IFLScience. (2016). (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, Technology Assessment: Internet of Things: Status and implications of an increasingly connected world, U.S. Government Printing Office, Washington, DC, 2017.

Theses and dissertations

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

Doctoral dissertation
J.R. Raines, Exploring differences in teacher attitudes and instructional strategies between traditional and block schedule high schools: A comparison of two large schools, Doctoral dissertation, Lindenwood University, 2010.

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
J. Poniewozik, Sci-Fi Western on HBO? Yes, It’s Dark, New York Times. (2016) C1.

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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