Harry Partridge

Overview

Best Publications

• The determination of an accurate isotope dependent potential energy surface for water from extensive ab initio calculations and experimental data

  Harry Partridge;David W. Schwenke

  1632
  Citations

• A modification of the Gaussian‐2 approach using density functional theory

  Charles W. Bauschlicher;Harry Partridge

  618
  Citations

• Chemical-Kinetic Parameters of Hyperbolic Earth Entry

  Chul Park;Richard L. Jaffe;Harry Partridge

  582
  Citations

• Near Hartree-Fock quality GTO basis sets for the first- and third-row atoms

  Harry Partridge

  438
  Citations

• Theoretical studies of the first- and second-row transition-metal methyls and their positive ions

  Charles W. Bauschlicher;Stephen R. Langhoff;Harry Partridge;Leslie A. Barnes

  420
  Citations

• The sensitivity of B3LYP atomization energies to the basis set and a comparison of basis set requirements for CCSD(T) and B3LYP

  Charles W. Bauschlicher;Harry Partridge

  394
  Citations

• Convergence testing of the analytic representation of an ab initio dipole moment function for water: Improved fitting yields improved intensities

  David W. Schwenke;Harry Partridge

  368
  Citations

• Theoretical study of transition-metal ions bound to benzene

  Charles W. Bauschlicher;Harry Partridge;Stephen R. Langhoff

  290
  Citations

• Near Hartree–Fock quality GTO basis sets for the second‐row atoms

  Harry Partridge

  272
  Citations

• A theoretical study of the positive and dipositive ions of M(NH3)n and M(H2O)n for M = Mg, Ca, or Sr

  Charles W. Bauschlicher;Mariona Sodupe;Harry Partridge

  258
  Citations

• Theoretical treatment of the X 1Σ+, A 1Σ+, and B 1Π states of LiH

  Harry Partridge;Stephen R. Langhoff

  249
  Citations

• All-electron molecular Dirac-Hartree-Fock calculations - The group IV tetrahydrides CH4, SiH4, GeH4, SnH4, and PbH4

  Kenneth G. Dyall;Peter R. Taylor;Knut Faegri;Harry Partridge

  237
  Citations

• THE BINDING ENERGIES OF CU+-(H2O)N AND CU+-(NH3)N (N=1-4)

  Charles W. Bauschlicher;Stephen R. Langhoff;Harry Partridge

  234
  Citations

• Theoretical dipole moments for the first‐row transition metal hydrides

  Delano P. Chong;Stephen R. Langhoff;Charles W. Bauschlicher;Stephen P. Walch

  233
  Citations

• Vibrational energy levels for CH4 from an ab initio potential.

  David W. Schwenke;Harry Partridge

  197
  Citations

• Theoretical study of metal ions bound to He, Ne, and Ar

  Harry Partridge;Charles W. Bauschlicher;Stephen R. Langhoff

  187
  Citations

• Theoretical spectroscopic parameters for the low-lying states of the second-row transition metal hydrides

  Stephen R. Langhoff;Lars G. M. Pettersson;Charles W. Bauschlicher;Harry Partridge

  182
  Citations

• A theoretical study of Na(H2O)+n (n=1–4)

  Charles W. Bauschlicher;Stephen R. Langhoff;Harry Partridge;Julia E. Rice

  180
  Citations

• Ab initio study of the alkali and alkaline-earth monohydroxides

  Charles W. Bauschlicher;Stephen R. Langhoff;Harry Partridge

  179
  Citations

• Theoretical study of the structures and electron affinities of the dimers and trimers of the group IB metals (Cu, Ag, and Au)

  Charles W. Bauschlicher;Stephen R. Langhoff;Harry Partridge

  166
  Citations