Journal of Physical Chemistry

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Subjects & Keywords

Journal’s research areas, covering key disciplines and specialized sub-topics in Chemistry and Engineering, designed to support cutting-edge academic discovery.

Most Cited Articles

The Most Cited Articles section features the journal's most impactful research, based on citation counts. These articles have been referenced frequently by other researchers, indicating their significant contribution to their respective fields.

• Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

  Citation: 20765

  Authors: P. J., F. J., C. F., M. J.

• van der Waals Volumes and Radii

  Citation: 17527

  Authors: A.

• The missing term in effective pair potentials

  Citation: 11959

  Authors: H. J. C., J. R., T. P.

• Exact stochastic simulation of coupled chemical reactions

  Citation: 8399

  Authors: Daniel T.

• A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

  Citation: 7050

  Authors: Christopher I., Piotr, Wendy, Peter A.

• Harmonic Vibrational Frequencies:  An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors

  Citation: 6282

  Authors: Anthony P., Leo

• DREIDING: a generic force field for molecular simulations

  Citation: 5837

  Authors: Stephen L., Barry D., William A.

• Reaction path following in mass-weighted internal coordinates

  Citation: 5652

  Authors: Carlos., H. Bernhard.

• Measurement of photoluminescence quantum yields. Review

  Citation: 4466

  Authors: Glenn A., James N.

• Adsorption and surface-enhanced Raman of dyes on silver and gold sols

  Citation: 4335

  Authors: P. C., D.