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
P. Bradford, Energy policy: The nuclear landscape, Nature. 483 (2012) 151–152.
A journal article with 2 authors
C.P. Petersen, P.W. Reddien, Smed-betacatenin-1 is required for anteroposterior blastema polarity in planarian regeneration, Science. 319 (2008) 327–330.
A journal article with 3 authors
C.F. Doeller, C. Barry, N. Burgess, Evidence for grid cells in a human memory network, Nature. 463 (2010) 657–661.
A journal article with 4 or more authors
A. Pyzalla, B. Camin, T. Buslaps, M. Di Michiel, H. Kaminski, A. Kottar, A. Pernack, W. Reimers, Simultaneous tomography and diffraction analysis of creep damage, Science. 308 (2005) 92–95.

Books and book chapters

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

An authored book
Center for Chemical Process Safety, Guidelines for Use of Vapor Cloud Dispersion Models, John Wiley & Sons, Inc., Hoboken, NJ, 1996.
An edited book
V. Alexandrov, M.F. Gajdusek, C.G. Knight, A. Yotova, eds., Global Environmental Change: Challenges to Science and Society in Southeastern Europe: Selected Papers presented in the International Conference held 19-21 May 2008 in Sofia Bulgaria, Springer Netherlands, Dordrecht, 2010.
A chapter in an edited book
Ü. Ufuktepe, B. Yılmaz, Hashimoto’s Thyroiditis with Petri Nets, in: D. Taniar, O. Gervasi, B. Murgante, E. Pardede, B.O. Apduhan (Eds.), Computational Science and Its Applications – ICCSA 2010: International Conference, Fukuoka, Japan, March 23-26, 2010, Proceedings, Part IV, Springer, Berlin, Heidelberg, 2010: pp. 53–61.

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. Fang, Revealed: how baby sea turtles spend their “lost years,” IFLScience. (2014). (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, Financial Management Systems: Experience with Prior Migration and Modernization Efforts Provides Lessons Learned for New Approach, U.S. Government Printing Office, Washington, DC, 2010.

Theses and dissertations

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

Doctoral dissertation
B.B. Wiggins, Using Induced Signals to Develop a Position-Sensitive Microchannel Plate Detector, Doctoral dissertation, Indiana University, 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
STEVEN LEE MYERS; Sophia Kishkovsky contributed reporting for this article, 2nd Russian Jury Convicts a Physicist Who Was Acquitted of Spy Charges, New York Times. (2004) A10.

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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