Calculation of molecular one-electron properties

Self-consistent perturbation theory of diamagnetism

1974 • 4,182 citations

The structure and properties of water

1970 • 2,973 citations

High-resolution Nuclear Magnetic Resonance

1960 • 1,643 citations

High-Resolution Nuclear Magnetic Resonance

1960 • 1,553 citations

Electronic Polarizabilities of Ions in Crystals

1953 • 1,377 citations

Molecular Orbital Theory of Magnetic Shielding and Magnetic Susceptibility

1972 • 1,175 citations

The Structure and Properties of Water

2005 • 697 citations

Dipole moment of water from Stark measurements of H2O, HDO, and D2O

1973 • 665 citations

Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AH

1967 • 645 citations

PNO-CI and PNO-CEPA studies of electron correlation effects

1976 • 635 citations

Studies in Molecular Structure. II. LCAO-MO-SCF Wave Functions for Selected First-Row Diatomic Molecules

1960 • 399 citations

Hyperfine Structure Constants of HF and DF

1970 • 324 citations

SCF-CI studies of correlation effects on hydrogen bonding and ion hydration

1975 • 312 citations

Magnetic Properties and Molecular Quadrupole Tensor of the Water Molecule by Beam-Maser Zeeman Spectroscopy

1970 • 297 citations

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

1968 • 291 citations

A comparison of different contractions for molecular calculations with gaussian-type functions

1968 • 196 citations

Magnetic properties and molecular quadrupole moment of HF and HCl by molecular-beam electric-resonance spectroscopy

1973 • 195 citations

Vibrational Corrections to the Nuclear-Magnetic Shielding and Spin–Rotation Constants for Hydrogen Fluoride. Shielding Scale for 19F

1968 • 188 citations

A b i n i t i o SCF and CI studies on the ground state of the water molecule. I. Comparison of CGTO and STO basis sets near the Hartree–Fock limit

1975 • 167 citations

Magnetic Susceptibility of Diatomic Molecules

1963 • 137 citations

Perturbed Hartree—Fock Calculations. III. Polarizability and Magnetic Properties of the HF Molecule

1964 • 131 citations

Electric Polarizability of Some Diatomic Molecules

1963 • 121 citations

Electric Dipole Moment of Diatomic Molecules by Configuration Interaction. I. Closed-Shell Molecules

1971 • 102 citations

Simple Evaluation of the Paramagnetic Part of the Proton Magnetic Shielding Constant

1962 • 97 citations

Theory of Nuclear Magnetic Shielding in Diatomic Molecules

1964 • 95 citations

Calculation of molecular one-electron properties using coupled Hartree-Fock methods

1973 • 82 citations

Magnetic Properties of Polyatomic Molecules. II. Proton Magnetic Shielding Constants in H₂O, NH₃, CH₄, and CH₃F

1970 • 82 citations

Gauge Invariance of the Hartree-Fock Approximation

1965 • 80 citations

Polarizabilities and Hyperpolarizabilities of Small Polyatomic Molecules in the Uncoupled Hartree–Fock Approximation

1971 • 74 citations

Self-consistent time-dependent Hartree–Fock calculations of dynamic polarizabilities, dispersion forces, and nuclear spin–spin coupling constants for the H2 and HF molecules

1975 • 62 citations

LCAO–MO–SCF Studies of HF2− and the Related Unstable Systems HF2 and HeF2

1970 • 54 citations

SCF MO's and Molecular Properties of H₂O

1970 • 54 citations

Temperature-dependent chemical shifts and isotope shifts in the N.M.R. spectroscopy of hydrogen

1971 • 52 citations

Optical Properties of Atoms and Diatomic Molecules Calculated by a Time-Dependent Coupled Hartree–Fock Method

1970 • 48 citations

Calculation of molecular one-electron properties using coupled Hartree-Fock methods

1973 • 47 citations

Magnetic properties of polyatomic molecules. III. Magnetic shielding constants of heavy nuclei in H217O, 14NH3, 13CH4 and 13CH3F

1970 • 45 citations

Theoretical Study of Several Electronic States of the Hydrogen Fluoride Molecule

1968 • 38 citations

The Refractive Index of Anhydrous Hydrogen Fluoride^1a

1964 • 37 citations

Magnetic Susceptibility of the H2O Molecule

1969 • 29 citations

Magnetochemische Untersuchungen XLII. Über den Magnetismus der Halogenwasserstoffe

1942 • 27 citations

Analysis of the Karplus-Kolker approximation to Hartree-Fock perturbation theory

1971 • 25 citations

Proton magnetic shielding in the water molecule

1972 • 18 citations

On the improvement of the gauge invariance in finite basis set coupled hartree—fock calculations of molecular magnetic properties

1975 • 16 citations