Journal Report

JOURNAL OF COMPUTATIONAL CHEMISTRY

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Journal Information
Journal Title
JOURNAL OF COMPUTATIONAL CHEMISTRY
Publisher
WILEY
ISSN
0192-8651
E-ISSN
1096-987X
Database
Clarivate
Domain
Life Sciences, Physical Sciences, Social Sciences
Classification History
Year A+ A B C
2026 ✓ ✓
2025 ✓ ✓
2024 ✓ ✓
2023 ✓ ✓
2021/2022 ✓ ✓
2020 ✓ ✓
2019 ✓ ✓
2018 ✓
A journal may have more than one classification in the same year. All recorded classifications are displayed.
Recent Articles
Issue Information
2026-11-6 Vol. 47 Issue 30
DOI: 10.1002/jcc.70428
<scp>Sc</scp> <sub>2</sub> @ <scp> C <sub>66</sub> </scp> . Spherical Aromaticity in a Markedly Ellipsoidal Endohedral Metallic Fullerene
Desmond Macleod‐Carey, Alvaro Muñoz‐Castro
2026-11-6 Vol. 47 Issue 30
DOI: 10.1002/jcc.70531
Carbyne‐Terminated Carbon‐Flanked Noble‐Gas Cations: Stability and Asymmetric C–Ng–C Bonding (NgHe–Rn)
Leonardo S. Reyes‐Fernández, Esteban Flores‐Gutiérrez, Esteban Marambio et al.
2026-11-6 Vol. 47 Issue 30
DOI: 10.1002/jcc.70546
<scp>LTVAE</scp> : Hybrid <scp>LSTM</scp> –Transformer <scp>VAE</scp> Architecture for Molecular <scp>SMILES</scp> Representation
Md Halim Mondol, Qingshan Wei, Edgar Lobaton
2026-11-3 Vol. 47 Issue 29
DOI: 10.1002/jcc.70521
Theoretical Investigation of Ethane‐to‐Aromatics Conversion Over [ <scp> GaH <sub>2</sub> </scp> ]‐ <scp>ZSM</scp> ‐5
João V. F. Costa, Thiago M. Mizumoto, Lenin J. Díaz Soto et al.
2026-11-3 Vol. 47 Issue 29
DOI: 10.1002/jcc.70537
Issue Information
2026-11-2 Vol. 47 Issue 29
DOI: 10.1002/jcc.70427
Physics‐Based <scp>AI</scp> ‐Augmented Workflows Discovering Candidate Graphene Quantum Dot Near‐Infrared Chromophores
Naga Mani Gajula, Muhammad Hammad Ali, Md. Masud Rana et al.
2026-11-2 Vol. 47 Issue 29
DOI: 10.1002/jcc.70522
Reduced‐Dimensional Reaction‐Space Analysis of a Trispericyclic Reaction by <scp>ReSPer</scp>
Takuro Tsutsumi, Akifumi Fujita, Yuriko Ono et al.
2026-11-2 Vol. 47 Issue 29
DOI: 10.1002/jcc.70539
Relativistic Effects on Bond Critical Points and Basin Population on Heavy‐Atom‐Containing Molecules With the Modified Dirac Equation
Andy D. Zapata‐Escobar, Alejandro F. Maldonado
2026-10-28 Vol. 47 Issue 28
DOI: 10.1002/jcc.70538
Assessing Structural, Thermal, and Mechanical Properties of Zirconium‐Based Metal‐Organic Frameworks via <scp>DFTB3</scp> / <scp>3OB MD</scp> Simulations: A Benchmark Beyond <scp>UiO</scp> Frameworks
Armin Penz, Thomas S. Hofer
2026-10-28 Vol. 47 Issue 28
DOI: 10.1002/jcc.70536
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Printed: November 7, 2026 22:07