2.8(top 6%)
Impact Factor
2.9(top 6%)
extended IF
242(top 1%)
H-Index
14.8K
authors
35.5K
papers
1.1M
citations
5.7K
citing journals
163.1K
citing authors

Most Cited Articles of Journal of Physical Chemistry A

TitleYearCitations
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model19986.8K
ReaxFF:  A Reactive Force Field for Hydrocarbons20013.4K
Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms19972.2K
An evaluation of harmonic vibrational frequency scale factors20072K
Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K20011.6K
Review on modified TiO2 photocatalysis under UV/visible light: selected results and related mechanisms on interfacial charge carrier transfer dynamics20111.5K
Hybrid Meta Density Functional Theory Methods for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions:  The MPW1B95 and MPWB1K Models and Comparative Assessments for Hydrogen Bonding and van der Waals Interactions20041.4K
ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation20081.4K
Adiabatic Connection for Kinetics20001.3K
DFTB+, a sparse matrix-based implementation of the DFTB method20071.3K
Femtochemistry:  Atomic-Scale Dynamics of the Chemical Bond†20001.3K
When Gold Is Not Noble:  Nanoscale Gold Catalysts19991.3K
Refinement and Parametrization of COSMO-RS19981.3K
A Bond Path:  A Universal Indicator of Bonded Interactions19981.3K
The GROMOS Biomolecular Simulation Program Package19991.2K
Design of density functionals that are broadly accurate for thermochemistry, thermochemical kinetics, and nonbonded interactions20051.2K
New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-zeta basis set 6-311+G(d,p)20051.2K
Efficient Exact Stochastic Simulation of Chemical Systems with Many Species and Many Channels20001.1K
Crystal orbital Hamilton population (COHP) analysis as projected from plane-wave basis sets20111.1K
Main Group Atoms and Dimers Studied with a New Relativistic ANO Basis Set20041K
Density functional for spectroscopy: no long-range self-interaction error, good performance for Rydberg and charge-transfer states, and better performance on average than B3LYP for ground states20061K
Consistent van der Waals radii for the whole main group2009976
The Proton's Absolute Aqueous Enthalpy and Gibbs Free Energy of Solvation from Cluster-Ion Solvation Data1998939
Characterization of a Dihydrogen Bond on the Basis of the Electron Density1998932
Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy:  Molecular Properties from Density Functional Theory Orbital Energies2003875