Nuclear Corrections to Electronic Expectation Values: Zero-Point Vibrational Effects in the Water Molecule

The Vibration-Rotation Energies of Molecules

1951 • 1,182 citations

�ber den Grundterm der Zweielektronenprobleme von H?, He, Li+, Be++ usw.

1930 • 777 citations

Recent Developments in Perturbation Theory

1964 • 656 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. I. Water

1968 • 291 citations

Gaussian-Transform Method for Molecular Integrals. I. Formulation for Energy Integrals

1965 • 199 citations

Automatic Fundamental Calculations of Molecular Structure

1956 • 191 citations

Approximate Hartree–Fock Wavefunctions, One-Electron Properties, and Electronic Structure of the Water Molecule

1968 • 173 citations

Molecular Calculations. I. LCAO MO Self-Consistent Field Treatment of the Ground State of H2O

1955 • 164 citations

Effect of Anharmonic Vibrations on the Bond Lengths of Polyatomic Molecules. I. Model of Force Field and Application to Water

1962 • 160 citations

Effect of Anharmonic Vibrations on the Bond Lengths of Polyatomic Molecules. II. Cubic Constants and Equilibrium Bond Lengths of Methane

1962 • 150 citations

Analysis of Charge Distributions: Hydrogen Fluoride

1964 • 141 citations

Calculation of Mean Atomic Positions in Vibrating Polyatomic Molecules

1963 • 139 citations

Perturbed Hartree—Fock Calculations. II. Further Results for Diatomic Lithium Hydride

1964 • 130 citations

Ab Initio Calculation of Harmonic Force Constants

1966 • 65 citations

Theoretical Analysis of the Electronic Structure and Molecular Properties of the Alkali Halides. I. Lithium Chloride

1967 • 63 citations

Molecular force fields. I. The structure of the water molecule

1948 • 58 citations

Centrifugal Distortion in Asymmetric Top Molecules. III.<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">H</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>O,<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">D</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow…

1954 • 41 citations

Use of Hellmann—Feynman and Hypervirial Theorems to Obtain Anharmonic Vibration—Rotation Expectation Values and Their Application to Gas Diffraction

1966 • 38 citations

Anharmonic potential functions of polyatomic molecules. VI. The role of nonbonded interaction

1964 • 35 citations

Isotope Shifts and Spin Coupling in the Proton Magnetic Resonance of Deuterated Ammonium Ions

1966 • 34 citations

Deuteron Quadrupole Coupling in Diatomic ``Hydrides''

1962 • 32 citations

Deuteron Quadrupole Coupling Constant in CH3D

1966 • 28 citations

Isotope Effects on 59Co Magnetic Shielding in K3Co(CN)6

1965 • 28 citations

Vibrational and Centrifugal Effects on the Magnetic Susceptibility and Rotational Magnetic Moment of the Hydrogen Molecule

1964 • 16 citations

Wave Functions for Anharmonic Oscillators by Perturbation Methods

1962 • 11 citations

Shrinkages of the Internuclear Distances by Molecular Vibrations

1965 • 9 citations

Calcul des constantes de force de la mol�cule CH4 � l'aide des fonctions d'onde �lectroniques

1966 • 4 citations