Journal profile · Physics, Atomic, Molecular & Chemical
Journal of Chemical Theory and Computation
ISSN 1549-9618 · eISSN 1549-9626 · American Chemical Society · UNITED STATES · Monthly · Founded 2005
Journal of Chemical Theory and Computation: CAS Zone 1 · Chemistry (2025 upgraded edition, Top journal); impact factor 5.81; transformative journal; APC about USD 4,500; median 83 days to acceptance (101 articles, last 24 months); community-reported acceptance: fairly easy; 1,057 articles in 2025; indexed in SCIE and Scopus.
Scope
Aims, scope and focus
Journal of Chemical Theory and Computation is published by American Chemical Society and is in Zone 1 of Chemistry in the CAS Journal Ranking (2025 upgraded edition, Top journal). By OpenAlex counts of its recent articles, its largest topics are Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies and Protein Structure and Dynamics, together about 47.6% of its articles. (generated from OpenAlex topic counts and CAS ranking data)
Journal of Chemical Theory and Computation reports new theories methods and important applications in quantum electronic structure molecular dynamics and statistical mechanics.
From the journal's Aims & Scope
Research area (LetPub): Physics, Atomic, Molecular & Chemical
Main research topics OpenAlex counts of recent articles; shares are approximate
- Advanced Chemical Physics StudiesPhysics and Astronomy18.4%
- Spectroscopy and Quantum Chemical StudiesPhysics and Astronomy16.4%
- Protein Structure and DynamicsBiochemistry, Genetics and Molecular Biology12.9%
- Machine Learning in Materials ScienceMaterials Science7.9%
- Photochemistry and Electron Transfer StudiesChemistry4.2%
- Computational Drug Discovery MethodsComputer Science3.8%
- Enzyme Structure and FunctionMaterials Science3.1%
- Advanced NMR Techniques and ApplicationsChemistry3%
Rankings & indexing
CAS ranking and database indexing
CAS Journal Ranking
CAS Journal Ranking, upgraded edition (March 2025)Chemistry Zone 1
| Level | Category | Zone |
|---|---|---|
| Major | Chemistry | Zone 1 |
| Minor | Chemistry, Physical | Zone 1 |
| Minor | Physics, Atomic, Molecular & Chemical | Zone 1 |
Top journal: yesReview journal: no
CAS Xinrui Journal Ranking (March 2026)Chemistry Zone 1
| Level | Category | Zone |
|---|---|---|
| Major | Chemistry | Zone 1 |
| Minor | Chemistry, Physical | Zone 2 |
| Minor | Physics, Atomic, Molecular & Chemical | Zone 1 |
Top journal: yesReview journal: not marked
CAS Journal Ranking, previous upgraded edition (December 2023)Chemistry Zone 1
| Level | Category | Zone |
|---|---|---|
| Major | Chemistry | Zone 1 |
| Minor | Physics, Atomic, Molecular & Chemical | Zone 1 |
| Minor | Chemistry, Physical | Zone 2 |
Top journal: yesReview journal: no
Database indexing
SCIEScopusLetPub
International journal early-warning lists: not listed in any editionLetPub
Editions, and major and minor categories, are shown separately and never merged into one zone; check which edition your institution uses before you submit or report.
Metrics
Impact metrics and publication volume
Impact
- Impact factor
- 5.81LetPub ·
- Impact factor (publisher)
- 5.8Publisher website ·
- CiteScore 2026-06
- 8.7LetPub ·
- CiteScore (publisher)
- 8.7Publisher website ·
- SJR 2026-06
- 1.49LetPub ·
- SNIP 2026-06
- 1.49LetPub ·
- h-index
- 146LetPub ·
- h-index
- 282OpenAlex ·
- i10-index
- 8,255OpenAlex ·
- 2-year mean citedness
- 5.48OpenAlex ·
- Self-citation rate
- 19%LetPub ·
- Share of gold OA articles
- 35.11%LetPub ·
Volume
- Articles per year
- 986LetPub ·
Articles by year OpenAlex count · 12,178 in total · the current year is incomplete
| Year | Articles | Open access | Citations |
|---|---|---|---|
| 2026 | 797 | 410 | 533 |
| 2025 | 1,057 | 536 | 4,984 |
| 2024 | 911 | 507 | 9,642 |
| 2023 | 817 | 470 | 15,960 |
| 2022 | 629 | 346 | 15,833 |
| 2021 | 642 | 349 | 27,070 |
Sources count differently and were observed at different times, so each source's own value is kept; "publisher" marks figures from the journal's website.
Review & acceptance
Review time and acceptance
Review time from article dates manuscript dates registered with PubMed · to
83 daysMedian, submission to acceptance · P25–P75 63 days – 98 days
- Acceptance to online
- median 8 days (2 articles)
- Submission to online
- median 65 days
- Sample
- 101 articles with submission and acceptance dates (1,930 in the window); the latest was accepted on
Only articles that were accepted and published are counted, not the time spent on rejected manuscripts, so this usually runs longer than a publisher's "time to first decision".
Other sources
- Average review time (community reports)
- about 1 monthLetPub ·
- Average acceptance (community reports)
- Fairly easyLetPub ·
Community reports come from authors' own submissions (confidence 0.5) and are not a promise from the journal; for publisher figures, the journal's own definitions apply.
Fees & open access
APC and open-access policy
Transformative journalLetPub
A subscription journal moving to full open access.
| Source | APC | Fee waiver | License | Observed |
|---|---|---|---|---|
| OpenAlex | USD 4,500 | — | — |
The journal's website is authoritative for fees; sources were observed at different times and each keeps its own value, without averaging.
Profile
Publication details and official links
- Publisher
- American Chemical Society
- Country or region
- UNITED STATES
- Language
- English
- Frequency
- Monthly
- Founded
- 2005
- ISSN
- 1549-9618
- Electronic ISSN
- 1549-9626
- Latest issue on the website
- Volume 22, Issue 17 (September 2026)
- Official links
- Journal homepage ↗OpenAlex
- Submission system ↗LetPub
- Special issues ↗Publisher website
FAQ
Frequently asked questions about Journal of Chemical Theory and Computation
What CAS zone is Journal of Chemical Theory and Computation in?
In the 2025 upgraded edition of the CAS Journal Ranking, Journal of Chemical Theory and Computation is in Zone 1 of Chemistry, and in Zone 1 of the minor category Chemistry, Physical / Physics, Atomic, Molecular & Chemical; it is a Top journal. In the 2026 Xinrui edition it is in Zone 1 of Chemistry. Zones from different editions, and from major and minor categories, are not interchangeable.
What is the impact factor of Journal of Chemical Theory and Computation?
The latest impact factor listed by LetPub is 5.81; CiteScore 8.7, h-index 282.
How long does peer review take at Journal of Chemical Theory and Computation?
Based on the dates recorded on 101 articles published between October 2024 and October 2026 (the last 24 months), the median time from submission to acceptance is 83 days (interquartile range 63–98 days); authors report an average review time of about 1 month; the community-reported acceptance is “Fairly easy”. Article statistics cover accepted papers only, publisher figures follow the journal's own definitions, and community reports come from authors' own submissions; none is a promise from the journal.
Which databases index Journal of Chemical Theory and Computation?
According to LetPub and DOAJ records, Journal of Chemical Theory and Computation is indexed in SCIE and Scopus.
Is Journal of Chemical Theory and Computation open access, and what is the APC?
Journal of Chemical Theory and Computation is a transformative journal. APC about USD 4,500.
Sources and updates
The facts on this page come from LetPub, OpenAlex, Publisher website; every figure is tagged with its source and the date it was observed, and conflicting values are kept per source. LetPub source page: view ↗ (archived 2026-08-25). Last updated: .