Impact Factor
3.59
Journal Citation Impact
Estimated influence, citation density, publishing volume, and citation integrity from the analytics table.
Citation rate
3.15
1,484 total citations
h5-index
39
h5 depth signal
Cited share
67.9%
332 of 489
Total citations
1,484
Citation footprint
Metric signal
2.85
External metric anchor
Self-citation
4.4%
65 self-citations
Citations Trend
Monthly Publications Cadence
Citing Geographic Demographics
United States
548
China
354
Germany
296
Japan
280
India
206
Citing Fields of Research
Physical Chemistry
1,611
Protein Structure & Folding
656
Soft Matter Chemistry
219
Radiochemistry
211
Synthesis
203
Publishing Activity & Reach
Volume, recency, access pattern, and citing-community signals from the journal analytics record.
All-time article footprint
9,653
Articles tracked across the journal lifetime
Indexed publication set
489
332 cited publications
Last 12 months
276
23.0 publications/month
Open access share
39.9%
110 OA publications in the last year
Leading citing country
United States
548 citing publications
Leading citing field
Physical Chemistry
1,611 citing publications
Latest tracked publication
20 October 2026
10 recent records available
Coverage & Indexing History
v23n1, Jan. 15, 2002-
v23n1, Jan. 15, 2002-
Active Coverage
Research Focus & Classification
Indexed Subjects
Physical Chemistry
Broad Categories
Chemistry
Computational Biology
Physical Chemistry
Protein Structure & Folding
MeSH Descriptors
Chemistry
Computer Simulation
Models, Chemical
Latest Publications
Recent article records with DOI-first linking and condensed abstracts.
01
DOI 10.1002/jcc.70528
Open DOI
Machine‐Learning Surrogate Modeling of DFT ‐Calculated Binding Energies for Ionic Liquid Ion‐Pairs
Ion–pair binding energy is a fundamental property that governs the physicochemical behavior of ionic liquids (ILs), influencing ion dissociation, transport, interfacial behavior, and field‐driven extraction processes across a wide range ...
02
DOI 10.1002/jcc.70527
Open DOI
Improved GAFF Force Field for Fused Ring Non‐Fullerene Acceptors With 1,1‐Dicyanomethylene‐3‐Indanone Based End Groups
The introduction of non‐fullerene acceptors (NFAs) in bulk heterojunction organic solar cells has advanced their power conversion efficiencies beyond 20%. NFAs consisting of a fused ring electron‐donating core, capped with electron‐withd...
03
DOI 10.1002/jcc.70524
Open DOI
Representation, Transferability, and Trustworthy Uncertainty in Machine‐Learning Prediction of the HOMO – LUMO Gap of Transition‐Metal Complexes
The frontier–orbital (HOMO–LUMO) gap is a compact descriptor of the electronic structure of transition–metal complexes (TMCs) and a recurrent screening target for catalysis, photophysics, and functional material design; however, its eval...
04
DOI 10.1002/jcc.70529
Open DOI
Low‐Attosecond Resolution Electronic and Nuclear Dynamics: How Helical Electron Motion Drives Chiral Asymmetry
Controlling and observing electron motion in chiral molecules is a fundamental challenge spanning chemical synthesis, materials science, and spintronics. The electronic origin of chiral asymmetry is revealed by combining real‐space analy...
05
DOI 10.1002/jcc.70426
Open DOI
Issue Information
06
DOI 10.1002/jcc.70520
Open DOI
Molecular Entropies of Conformationally Flexible, Gas‐Phase Forms of Clinical Drugs: A Black‐Box Approach Versus Systematic Sampling
The results of the exhaustive conformational sampling are contrasted with metadynamics‐based CREST simulations for a set of 13 gas‐phase forms of clinical drug molecules retrieved from the CD25 dataset. [ Chem. Sci . 2021 , 12 (19), 6551...
07
DOI 10.1002/jcc.70513
Open DOI
EASIQ ‐Marcus: An Automated Workflow for Applying Marcus Theory to Computational Chemistry Output Files
Single‐electron transfer (SET) and energy‐transfer (EnT) events play a central role in contemporary mechanistic proposals across photochemistry, electrochemistry, and catalysis. However, in routine computational practice, these steps are...
08
DOI 10.1002/jcc.70425
Open DOI
Issue Information
09
DOI 10.1002/jcc.70518
Open DOI
Simulating Infrared Spectra of Matrix Isolation Experiments: What Works Best?
Matrix isolation is an experimental technique which allows spectroscopists to observe highly reactive or weakly bound systems by trapping them in frozen noble gas matrices. In this work, we studied the viability of using ab initio molecu...
10
DOI 10.1002/jcc.70514
Open DOI
Molecular‐Environment Feedback Improves Superposition‐of‐Atomic‐Potential SCF Guesses
Self‐consistent‐field calculations require an inexpensive initial electronic structure that nevertheless reflects the molecular environment. Standard superposition of atomic potentials (SAP) is efficient, but its component potentials des...
Bibliographical & Catalog Notes
"A Wiley-Interscience publication."
Description based on: Vol. 23, no. 1 (Jan. 15, 2002); title from cover.
Print issues ceased with v. 41 (2020).
Also issued online.
v.1, no. 1 (Jan. 1999)20020315 Notice published Printed on acid-free paper that meets the full ANSI standard for Permanent Paper