Harold Basch

Overview

Best Publications

• Relativistic compact effective potentials and efficient, shared-exponent basis sets for the third-, fourth-, and fifth-row atoms

  Walter J. Stevens;Morris Krauss;Harold Basch;Paul G. Jasien

  3134
  Citations

• Compact effective potentials and efficient shared‐exponent basis sets for the first‐ and second‐row atoms

  Walter J. Stevens;Harold Basch;Morris Krauss

  3062
  Citations

• An effective fragment method for modeling solvent effects in quantum mechanical calculations

  Paul N. Day;Jan H. Jensen;Mark S. Gordon;Simon P. Webb

  731
  Citations

• Electronic Energies and Electronic Structures of the Fluoromethanes

  C. R. Brundle;M. B. Robin;Harold Basch

  568
  Citations

• Molecular Orbital Theory for Octahedral and Tetrahedral Metal Complexes

  Harold Basch;Arlen Viste;Harry B. Gray

  362
  Citations

• Interface Geometry and Molecular Junction Conductance: Geometric Fluctuation and Stochastic Switching

  H. Basch;R. Cohen;Mark A. Ratner

  344
  Citations

• Optical and Photoelectron Spectra of Small Rings. III. The Saturated Three‐Membered Rings

  Harold Basch;M. B. Robin;N. A. Kuebler;Clive Baker

  326
  Citations

• Electronic States of the Amide Group

  Harold Basch;M. B. Robin;N. A. Kuebler

  277
  Citations

• Valence orbital ionization potentials from atomic spectral data

  Unknown

  275
  Citations

• Electronic Spectra of Isoelectronic Amides, Acids and Acyl Fluorides

  Harold Basch;M. B. Robin;N. A. Kuebler

  252
  Citations

• Mechanism of the methane → methanol conversion reaction catalyzed by methane monooxygenase: A density functional study

  Harold Basch;Harold Basch;Koichi Mogi;Djamaladdin G. Musaev;Keiji Morokuma

  203
  Citations

• The electronic structure of small nickel atom clusters

  Harold Basch;M. D. Newton;J. W. Moskowitz

  188
  Citations

• Molecular orbital theory for square-planar metal halide complexes

  Harold Basch;Harry B. Gray

  152
  Citations

• Ab Initio Study of Hydrogen Abstraction Reactions

  Harold Basch;Shmaryahu Hoz

  147
  Citations

• Heats of reaction from self-consistent-field energies of closed-shell molecules

  Lawrence C. Snyder;Harold Basch

  139
  Citations

• Theoretical Predictions and Single-Crystal Neutron Diffraction and Inelastic Neutron Scattering Studies on the Reaction of Dihydrogen with the Dinuclear Dinitrogen Complex of Zirconium [P2N2]Zr(μ-η2-N2)Zr[P2N2], P2N2 = PhP(CH2SiMe2NSiMe2CH2)2PPh

  Harold Basch;Djamaladdin G. Musaev;Keiji Morokuma;Michael D. Fryzuk

  138
  Citations

• On the mechanism of action of superoxide dismutase: a theoretical study

  Roman Osman;Harold Basch

  113
  Citations

• Assignments in the Ultraviolet Spectra of Olefins

  M. B. Robin;Harold Basch;N. A. Kuebler;B. E. Kaplan

  113
  Citations

• Ionization potentials of the tetraphosphorus molecule

  C. R. Brundle;N. A. Kuebler;M. B. Robin;Harold. Basch

  100
  Citations

• Model studies of the structures, reactivities, and reaction mechanisms of metalloenzymes

  K. Morokuma;D. G. Musaev;T. Vreven;H. Basch

  100
  Citations

• Interpretation of Open‐Shell SCF Calculations on the T and V States of Ethylene

  Harold Basch;Vincent McKoy

  99
  Citations

• On the interpretation of k-shell electron binding energy chemical shifts in molecules

  Unknown

  94
  Citations