Journal Report

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Download PDF
Journal Information
Journal Title
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
Publisher
AMER CHEMICAL SOC
ISSN
1549-9618
E-ISSN
1549-9626
Database
Clarivate
Domain
Life Sciences, Physical 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
A Machine-Learned Symbolic Committor for a Chemical Reaction: Isomerization in Retinal and <i>p</i> -Coumaric Acid
Kai Töpfer, Gianmarco Lazzeri, Vittoria Ossanna et al.
2026-10-30
DOI: 10.1021/acs.jctc.6c01496
Correction to “Thermodynamic Perturbation Theory for Charged Branched Polymers”
Leying Qing, Xiujun Wang, Shichao Li et al.
2026-10-30
DOI: 10.1021/acs.jctc.6c02133
Global Potential Energy Surface Exploration Using Generative Stochastic Surface Walking (Gen-SSW)
Qiming Liang, Zi-Xing Guo, Jin-Peng Tang et al.
2026-10-30
DOI: 10.1021/acs.jctc.6c01420
An Efficient Neural Network Architecture for Molecular Vibrational States: From Rigid Molecules to Molecular Complexes
Shuaishuai Zhao, Dong H. Zhang
2026-10-30
DOI: 10.1021/acs.jctc.6c01254
Algorithm for Locating SCF Solutions Reveals Conceptual Limitations of the Broken-Symmetry Approach Applied to the Oxygen-Evolving Complex
Pavel Pokhilko, Yulia Pushkar
2026-10-30
DOI: 10.1021/acs.jctc.6c01499
Data-Driven Approach for Predicting Long-Time Anomalous Transport from Short Trajectories
Chuyi Liu, Yifeng Guan, Jingyuan Li et al.
2026-10-29
DOI: 10.1021/acs.jctc.6c01846
Paired-Isotopologue Hessian Benchmarking for Second-Order Validation of Machine-Learned Water Potentials
Yihao Wen, Xue Wen, Baoxin Ni et al.
2026-10-29
DOI: 10.1021/acs.jctc.6c01692
Unraveling the Ultrafast Photodynamics of Molecular Photoswitches in β-Adrenergic Receptors by First-Principles Nonadiabatic Dynamics Simulations
Mohammad Khavani, Amirhossein Bakhtiiari, Ruibin Liang
2026-10-29
DOI: 10.1021/acs.jctc.6c01210
Multistate-Averaged Kohn–Sham ΔSCF Method for Excitation Energies, Transition Properties, and Absorption Spectra and Its Relation to Ensemble Density Functional Theory
Oliver Bertleff, Egor Trushin, Andreas Görling
2026-10-28
DOI: 10.1021/acs.jctc.6c01397
Limitations of Fixed-Point-Charge Force Fields for Metal Coordination Modes in Proteins: A Multilevel Study of Ca2+ in Integrin αVβ3
Andrea Levy, Giulia Frigerio, Jules Grollier et al.
2026-10-28
DOI: 10.1021/acs.jctc.6c01320
Articles retrieved from Crossref.
Green Journals | https://www.green-journals.com | info@green-journals.com
Printed: October 31, 2026 01:59