Journal of Chemical Theory and Computation

Journal website Submission website

Note: The following journal information is for reference only. Please check the journal website for updated information prior to submission.

Journal Title

J. Chem. Theory Comput.

ISSN / eISSN

1549-9618 / 1549-9626

Aims and Scope

The Journal of Chemical Theory and Computation publishes papers reporting new theories, methodology in quantum electronic structure, molecular dynamics, and statistical mechanics and/or their important applications. Specific topics include advances in ab initio quantum mechanics, density functional theory, design and properties of new materials, surface science, Monte Carlo simulations, solvation models, QM/MM calculations, biomolecular structure prediction, and molecular dynamics in the broadest sense, including gas-phase dynamics, ab initio dynamics, biomolecular dynamics, and protein folding/phase separation. New theories for quantum computers and their applications are welcome, as well as the combination of data science, theory, and computations relevant to chemistry. We also welcome papers on computational chemistry packages that present innovative methods. The Journal does not consider papers that are straightforward applications on only single-class systems of well-established methods, including DFT, traditional wave function theories, and molecular dynamics. The Journal favors submissions that include advances in theory, methodology, and data science with applications to compelling problems in chemistry and materials science.

Subject Area

PHYSICS, ATOMIC, MOLECULAR & CHEMICAL

CHEMISTRY, PHYSICAL

CiteScore

10.90

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CiteScore Ranking

Category	Quartile	Rank
Computer Science - Computer Science Applications	Q1	#58/792
Computer Science - Physical and Theoretical Chemistry	Q1	#19/185

Web of Science Core Collection

Science Citation Index Expanded (SCIE)	Social Sciences Citation Index (SSCI)
Indexed	-

Category (Journal Citation Reports 2023)	Quartile
CHEMISTRY, PHYSICAL - SCIE	Q2
PHYSICS, ATOMIC, MOLECULAR & CHEMICAL - SCIE	Q1

H-index

146

Country/Area of Publication

UNITED STATES

Publisher

American Chemical Society

Publication Frequency

Monthly

Year Publication Started

2005

Annual Article Volume

613

Open Access

Contact

AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, USA, DC, 20036

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Verified Reviews

Note: Verified reviews are sourced from across review platforms and social media globally.

Why are there so few comments in the comment section? The article was submitted at the end of February last year and received review comments in early April. The reviewers were very fair, and we agreed with their suggestions. Afterward, we re-ran some of the data and made revisions in September. It was quickly accepted. This journal can be considered of high quality in terms of reviewer standards.

2022-04-14

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