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Impact Factor
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363(top 1%)
citing journals
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Most Cited Articles of The Journal of Physical Chemistry

van der Waals Volumes and Radii196416.3K
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields199415.9K
The missing term in effective pair potentials19879.6K
Exact stochastic simulation of coupled chemical reactions19776.9K
Harmonic Vibrational Frequencies:  An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors19966.2K
A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model19935.3K
Reaction path following in mass-weighted internal coordinates19905K
DREIDING: a generic force field for molecular simulations19904.6K
Measurement of photoluminescence quantum yields. Review19714.2K
Adsorption and surface-enhanced Raman of dyes on silver and gold sols19823.9K
The Role of Metal Ion Dopants in Quantum-Sized TiO2: Correlation between Photoreactivity and Charge Carrier Recombination Dynamics19943.2K
Perspectives on the Physical Chemistry of Semiconductor Nanocrystals19963.1K
Conductor-like Screening Model for Real Solvents: A New Approach to the Quantitative Calculation of Solvation Phenomena19952.8K
Thermodynamics of electrolytes. I. Theoretical basis and general equations19732.7K
Formulation of the reaction coordinate19702.6K
Electronic wave functions in semiconductor clusters: experiment and theory19862.6K
Second-order perturbation theory with a CASSCF reference function19902.6K
Charge equilibration for molecular dynamics simulations19912.5K
Characterization of C-H-O Hydrogen Bonds on the Basis of the Charge Density19952.4K
Synthesis and Characterization of Strongly Luminescing ZnS-Capped CdSe Nanocrystals19962.4K
Molecular dynamics study of melting and freezing of small Lennard-Jones clusters19872.3K
Density Functional Theory of Electronic Structure19962.2K
Toward a systematic molecular orbital theory for excited states19922.1K
Phenomenological Theory of Ion Solvation. Effective Radii of Hydrated Ions19592K
Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations19932K