How to Format Citations for the Journal of Chemical Theory and Computation

Boost your citation accuracy for chemical research papers with this detailed guide!

The Journal of Chemical Theory and Computation (JCTC) follows the ACS citation style, widely used in computational chemistry. Accurate citations help maintain credibility and meet publication standards.

This quick guide covers how to format in-text citations, structure your reference list, and use citation tools to save time and stay consistent.

In-Text Citations

JCTC uses a numbered citation system where references are listed in the order they appear. Each source is assigned a number and cited using a superscript within the sentence.

Here’s how it looks:

• Single source: Recent developments have improved accuracy.¹
  
  
  

• Multiple sources: Several studies support this claim.²˒³˒⁴
  
  
  

• After punctuation: These results were conclusive.⁵
  
  
  

Avoid common mistakes, like using author-date formats or placing citations inside punctuation.

Reference List Formatting

Your reference list should match the order of appearance in your paper, not alphabetical. Use plain text numbers to start each entry.

Key formatting rules:

• Authors: Last name, initials. Smith, J. A.; Lee, K. M.
  
  
  

• Article Titles: Sentence case, no quotes or italics.
  
  
  

• Journal Titles: Use standard ACS abbreviations. J. Chem. Theory Comput.
  
  
  

• Volume Numbers: Bold. 2022, 18 (4), 1234–1245.
  
  
  

• DOIs: Include when available, placed at the end.
  
  
  

Example:

1. Wang, Y.; Zhao, X. A multiscale modeling approach for protein interactions. J. Chem. Theory Comput. 2023, 19 (2), 567–580. https://doi.org/10.1021/acs.jctc.3c00001

Examples of References

Below are sample citation formats for common source types used in JCTC. Each example follows the required formatting rules for clarity, order, and precision.

Journal Articles

Citations for journal articles should include:

• Author(s) in the format: Last Name, Initials.
  
  
  

• Article title in sentence case.
  
  
  

• Journal Name abbreviated per ACS standards.
  
  
  

• Year, Volume (Issue), page range.
  
  
  

• DOI at the end when available.
  
  
  

Example:
Smith, J. A.; Kim, L. R. Computational modeling of enzyme kinetics. J. Chem. Theory Comput. 2023, 19 (5), 1342–1355. https://doi.org/10.1021/acs.jctc.3c00123

Books

For books, include the author(s), book title in italics, edition if applicable, publisher, place of publication, and year.

Example:
Lee, C. H. Molecular Simulations in Chemistry; 2nd ed.; Oxford University Press: Oxford, 2020.

Book Chapters

Citing a book chapter requires both the chapter and book details. Include the chapter author(s), title of the chapter, “In” followed by the book title, editor(s), publisher, place, year, and page numbers.

Example:
Brown, T. J. Modeling Solvent Effects in Chemical Systems. In Computational Chemistry Advances; Grey, D. M., Ed.; Springer: Berlin, 2018; pp 145–168.

Additional Notes

JCTC citations must follow strict formatting rules. This section covers a couple of special cases researchers often ask about, especially regarding DOIs and online references.

Digital Object Identifiers (DOIs)

DOIs are essential for JCTC journal article citations. They provide a permanent link to the source and should be included at the end of the reference whenever available.

Make sure:

• The DOI is formatted as a full URL (starting with https://doi.org/)
  
  
  

• There are no line breaks or spaces within the DOI
  
  
  

Example:
Johnson, M. E.; Zhang, Y. Quantum tunneling in complex systems. J. Chem. Theory Comput. 2021, 17 (2), 756–764. https://doi.org/10.1021/acs.jctc.1c00345

Citation of Online Sources

For datasets, websites, or tools accessed online, JCTC expects clear and credible citation formatting. You should include:

• Author or organization (if available)
  
  
  

• Title of the page or resource
  
  
  

• Website name
  
  
  

• Access date
  
  
  

• Full URL

Using Reference Management Software

Manually formatting citations for JCTC can be time-consuming — especially when juggling dozens of sources. That’s where reference management tools come in handy.

These tools help you:

• Automatically format citations in JCTC style
  
  
  

• Organize and tag references for easy retrieval
  
  
  

• Insert in-text citations and build reference lists directly in your document
  
  
  

Popular Tools for Chemistry Researchers

EndNote

Best for integration with databases like Web of Science. Offers robust output styles and collaboration features.

Zotero

Free and open-source. Great for grabbing references from your browser and organizing research with tags and folders.

Mendeley

Especially useful for those collaborating across institutions. It includes PDF annotation, cloud sync, and citation plugins for Word and LibreOffice.

These tools not only improve accuracy but also cut down the time spent fixing citation errors perfect for researchers working on tight deadlines.

Simplify Citation with the Right Tools

Following JCTC citation guidelines ensures clarity and credibility in your research. From numbered in-text citations to properly formatted references, every detail counts.

Jenni AI can help you stay on track, whether it’s organizing sources or keeping your formatting consistent.

Try Jenni today and make citation one less thing to stress about.