Aims and Scope of Journal of Computational Chemistry
The Journal of Computational Chemistry is a peer-reviewed scientific journal published since 1980 by John Wiley & Sons. It covers research, contemporary developments in theory and methodology, and applications in all areas of computational chemistry, including ab initio quantum chemistry methods and semiempirical methods, density functional theory, molecular mechanics, molecular dynamics, statistical mechanics, cheminformatics, biomolecular structure prediction, molecular design, and bioinformatics. Less
Key Metrics
CiteScore 

6
Impact Factor 

< 5
SJR 

Q1Chemistry (all)

SNIP 

0.98
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Journal of Computational Chemistry Journal Specifications
Indexed in the following public directories
Web of Science
Inspec
SJR
| Overview | |
| Publisher | WILEY |
| Language | English |
| Frequency | Fortnightly |
| General Details | |
| Language | English |
| Frequency | Fortnightly |
| Publication Start Year | 1980 |
| Publisher URL | Visit website |
| Website URL | Visit website |
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Recently Published Papers in Journal of Computational Chemistry
Development of a Conformational Sampling Method for Transition State Structures With Diverse Active Bond Lengths.
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Non\u2010Bivariational Time\u2010Dependent Orbital\u2010Quasi\u2010Optimized Coupled\u2010Cluster Methods Family for Fermion\u2010Mixtures Dynamics
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Integrating Coupled\u2010Cluster Theory Within AI Workflows for Accurate Molecular Geometries
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Accelerated \u201cOn\u2010the\u2010Fly\u201d Coupled\u2010Cluster Path\u2010Integral Molecular Dynamics: Impact of Nuclear Quantum Effects on An Asymmetric Proton
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Molecular Interactions of Pyridine With Water: A Combined DFT Benchmarking and QTAIM Analysis
- 31 Jul 2026
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Electron Affinity of Actinide (IV) Carboxylate Complexes From MN12-L Density-Functional Calculations and Explainable Machine Learning.
- 30 Jul 2026
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Development of a Conformational Sampling Method for Transition State Structures With Diverse Active Bond Lengths.
- 7 Aug 2026
- Journal of computational chemistry
Non\u2010Bivariational Time\u2010Dependent Orbital\u2010Quasi\u2010Optimized Coupled\u2010Cluster Methods Family for Fermion\u2010Mixtures Dynamics
- 5 Aug 2026
- Journal of Computational Chemistry
Integrating Coupled\u2010Cluster Theory Within AI Workflows for Accurate Molecular Geometries
- 3 Aug 2026
- Journal of Computational Chemistry
Accelerated \u201cOn\u2010the\u2010Fly\u201d Coupled\u2010Cluster Path\u2010Integral Molecular Dynamics: Impact of Nuclear Quantum Effects on An Asymmetric Proton
- 31 Jul 2026
- Journal of Computational Chemistry
Molecular Interactions of Pyridine With Water: A Combined DFT Benchmarking and QTAIM Analysis
- 31 Jul 2026
- Journal of Computational Chemistry
Electron Affinity of Actinide (IV) Carboxylate Complexes From MN12-L Density-Functional Calculations and Explainable Machine Learning.
- 30 Jul 2026
- Journal of computational chemistry
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