SCIESCOPUSQ1
Journal of Chemical Theory and Computation
AMER CHEMICAL SOC, United States
Journal of Chemical Theory and Computation is an academic journal published by AMER CHEMICAL SOC (United States). Identifiers: ISSN 1549-9618, eISSN 1549-9626. Indexed in SCIE, SCOPUS. Metrics: JIF 5.5, CiteScore 9.8, SJR 1.482, SNIP 1.61. Subject areas: ATOMIC, CHEMISTRY, MOLECULAR & CHEMICAL, PHYSICAL. tlooto lists 12,554 papers from this journal.
CiteScore
9.80
Scopus citation metric
SJR
1.482
SCImago rank
SNIP
1.61
Source normalized impact
Percentage rank
-
JIF percentile rank
Journal profile
- ISSN
- 1549-9618
- eISSN
- 1549-9626
- Abbreviation
- J CHEM THEORY COMPUT
- Publisher
- AMER CHEMICAL SOC
- Country
- United States
Web of Science categories
SCIEATOMIC, CHEMISTRY, MOLECULAR & CHEMICAL, PHYSICAL, PHYSICS
Scopus ASJC categories
16061706
Keywords
Chemistry, Physical | Physics, Atomic, Molecular & Chemical
Papers in this journal
Recent papers
- TorchDisorder: A Differentiable Framework for Generating Physically Realistic Disorder Structures from Experimental Diffraction Data.
2026
- pyEF: A Python Framework for QM and QM/MM Atom-Wise Electric Field Analysis
2026
- Effect of Pressure on Molecular and Transition-State Geometries.
2026
- Fragment-Based Configuration Interaction: Toward a Unifying Description of Biexcitonic Processes in Molecular Aggregates.
2026
- Integrated Boltzmann Sampling: A Few-State Approach for Efficient Multistate Free Energy Calculations.
2026
Most cited papers
- GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation.
2008 · 15,223 citations
- ff14SB: Improving the accuracy of protein side chain and backbone parameters from ff99SB
2015 · 9,671 citations
- PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data.
2013 · 6,580 citations
- Optimization of the additive CHARMM all-atom protein force field targeting improved sampling of the backbone φ, ψ and side-chain χ1 and χ2 dihedral angles
2012 · 4,162 citations
- MMPBSA.py: An Efficient Program for End-State Free Energy Calculations.
2012 · 4,031 citations