Key Metrics
CiteScore 

10
Impact Factor 

5 - 10
Scite Index 

0.94 5-Year SI

SNIP 

1.48
Recommended pre-submission checks
Powered by 

Topics Covered on Journal of Chemical Theory and Computation
Journal of Chemical Theory and Computation Journal Specifications
Indexed in the following public directories
Web of Science
SJR
| Overview | |
| Publisher | AMER CHEMICAL SOC |
| Language | English |
| Frequency | Monthly |
| General Details | |
| Language | English |
| Frequency | Monthly |
| Publication Start Year | 2005 |
| Publisher URL | Visit website |
| Website URL | Visit website |
View less
Planning to publish in Journal of Chemical Theory and Computation ?
Upload your Manuscript to get
- Degree of match
- Common matching concepts
- Additional journal recommendations

Recently Published Papers in Journal of Chemical Theory and Computation
Simulating Electron Dynamics with GPU-Accelerated Real-Time Tamm–Dancoff Approximation
- 27 Apr 2026
- Journal of Chemical Theory and Computation
FR-TO ΔSCF: A Robust and Systematic Framework for Core Excitations.
- 27 Apr 2026
- Journal of chemical theory and computation
Monomeric Neural Network Potential for General Covalent Molecules: Linear Alkanes as an Example.
- 27 Apr 2026
- Journal of chemical theory and computation
Excitonic Hamiltonian for Singlet Fission: Beyond a Dimer Model.
- 26 Apr 2026
- Journal of chemical theory and computation
Modeling Triplet Excited-State Energy Transfer (TEET) via Multistate Density Functional Theory with Nonorthogonal State Interaction (MSDFT-NOSI).
- 26 Apr 2026
- Journal of chemical theory and computation
EAC-Net: Predicting Real-Space Charge Density via Equivariant Atomic Contributions.
- 25 Apr 2026
- Journal of chemical theory and computation
Simulating Electron Dynamics with GPU-Accelerated Real-Time Tamm–Dancoff Approximation
- 27 Apr 2026
- Journal of Chemical Theory and Computation
FR-TO ΔSCF: A Robust and Systematic Framework for Core Excitations.
- 27 Apr 2026
- Journal of chemical theory and computation
Monomeric Neural Network Potential for General Covalent Molecules: Linear Alkanes as an Example.
- 27 Apr 2026
- Journal of chemical theory and computation
Excitonic Hamiltonian for Singlet Fission: Beyond a Dimer Model.
- 26 Apr 2026
- Journal of chemical theory and computation
Modeling Triplet Excited-State Energy Transfer (TEET) via Multistate Density Functional Theory with Nonorthogonal State Interaction (MSDFT-NOSI).
- 26 Apr 2026
- Journal of chemical theory and computation
EAC-Net: Predicting Real-Space Charge Density via Equivariant Atomic Contributions.
- 25 Apr 2026
- Journal of chemical theory and computation