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Journal of Physical Chemistry A
›
Top Articles
Journal of Physical Chemistry A
Chemistry
,
Physical Chemistry
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
Title
Year
Citations
Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
1998
6.8K
ReaxFF: A Reactive Force Field for Hydrocarbons
2001
3.4K
Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
1997
2.2K
An evaluation of harmonic vibrational frequency scale factors
2007
2K
Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K
2001
1.6K
Review on modified TiO2 photocatalysis under UV/visible light: selected results and related mechanisms on interfacial charge carrier transfer dynamics
2011
1.5K
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 Interactions
2004
1.4K
ReaxFF reactive force field for molecular dynamics simulations of hydrocarbon oxidation
2008
1.4K
Adiabatic Connection for Kinetics
2000
1.3K
DFTB+, a sparse matrix-based implementation of the DFTB method
2007
1.3K
Femtochemistry: Atomic-Scale Dynamics of the Chemical Bond†
2000
1.3K
When Gold Is Not Noble: Nanoscale Gold Catalysts
1999
1.3K
Refinement and Parametrization of COSMO-RS
1998
1.3K
A Bond Path: A Universal Indicator of Bonded Interactions
1998
1.3K
The GROMOS Biomolecular Simulation Program Package
1999
1.2K
Design of density functionals that are broadly accurate for thermochemistry, thermochemical kinetics, and nonbonded interactions
2005
1.2K
New scale factors for harmonic vibrational frequencies using the B3LYP density functional method with the triple-zeta basis set 6-311+G(d,p)
2005
1.2K
Efficient Exact Stochastic Simulation of Chemical Systems with Many Species and Many Channels
2000
1.1K
Crystal orbital Hamilton population (COHP) analysis as projected from plane-wave basis sets
2011
1.1K
Main Group Atoms and Dimers Studied with a New Relativistic ANO Basis Set
2004
1K
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 states
2006
1K
Consistent van der Waals radii for the whole main group
2009
976
The Proton's Absolute Aqueous Enthalpy and Gibbs Free Energy of Solvation from Cluster-Ion Solvation Data
1998
939
Characterization of a Dihydrogen Bond on the Basis of the Electron Density
1998
932
Ionization Potential, Electron Affinity, Electronegativity, Hardness, and Electron Excitation Energy: Molecular Properties from Density Functional Theory Orbital Energies
2003
875
0
1
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How are inpact factors calculated?
The impact factor (IF) is calculated by counting citations from peer-reviewed journals only.
extended IF
also counts citations from books and conference papers. However, no patent, abstract, working papers, online documents, etc., are covered.
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