Proton magnetic shielding in the water molecule

Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system

1950 • 1,204 citations

Water Molecule Interactions

1970 • 620 citations

Perturbed Hartree—Fock Calculations. I. Magnetic Susceptibility and Shielding in the LiH Molecule

1963 • 502 citations

Approximations to Hartree—Fock Perturbation Theory

1966 • 357 citations

Gaussian Basis Functions for Use in Molecular Calculations. IV. The Representation of Polarization Functions for the First Row Atoms and Hydrogen

1971 • 356 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

Gaussian-Expansion Methods for Molecular Integrals

1966 • 230 citations

Self-Consistent Perturbation Theory. I. General Formulation and Some Applications

1966 • 219 citations

Perturbation theory for atomic systems

1959 • 161 citations

Multipole Polarizabilities and Shielding Factors from Hartree-Fock Wave Functions

1965 • 158 citations

One-Electron Properties of Near-Hartree–Fock Wavefunctions. II. HCHO, CO

1969 • 157 citations

Magnetic Properties of Polyatomic Molecules. I. Magnetic Susceptibility of H2O, NH3, CH4, H2O2

1968 • 148 citations

Theory of the Hydrogen Bond: Ab Initio Calculations on Hydrogen Fluoride Dimer and the Mixed Water–Hydrogen Fluoride Dimer

1970 • 142 citations

SCF-MO-LCGO studies on hydrogen bonding. The water dimer

1971 • 138 citations

Magnetic Susceptibility of Diatomic Molecules

1963 • 137 citations

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

1962 • 97 citations

Gaussian-Transform Method for Molecular Integrals. II. Evaluation of Molecular Properties

1965 • 95 citations

Theory of Nuclear Magnetic Shielding in Diatomic Molecules

1964 • 95 citations

Measurement of the Molecular g Values in H2O and D2O and Hyperfine Structure in H2O

1969 • 88 citations

The Theory of the Electric and Magnetic Properties of Molecules

1968 • 86 citations

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

1970 • 82 citations

Magnetic Properties and Dipole Moment of CO

1968 • 78 citations

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

1971 • 74 citations

Self-Consistent Perturbation Method. I. Calculation of Dipole Polarizability and Shielding Factor

1966 • 66 citations

Ground State Electronic Wave Function of Methane

1960 • 62 citations

Perturbation theory for the self-consistent field

1941 • 61 citations

Magnetic Shielding in Some Diatomic Molecules

1962 • 54 citations

SCF MO's and Molecular Properties of H₂O

1970 • 54 citations

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

1970 • 45 citations

An LCAO MO Self-Consistent Field Calculation of the Ground State of H2O

1953 • 43 citations

Upper bounds for the calculation of second order HF energies

1970 • 39 citations

Chapter 1 Chemical shift calculations

1967 • 33 citations

Different Perturbed Uncoupled Hartree–Fock (PUCHF) Methods for Physical Properties. I. Theory and Dipole Polarizabilities

1971 • 32 citations

Approximations for the Functions Fm(z) Occurring in Molecular Calculations with a Gaussian Basis

1971 • 32 citations

Magnetic Susceptibility of the H2O Molecule

1969 • 29 citations

Perturbed SCF MO calculations. Electrical polarizability and magnetic susceptibility of HF, H2O, NH3 and CH4

1967 • 28 citations

Magnetic Properties of Water Molecule

1959 • 26 citations

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

1971 • 25 citations

Spin-rotation constants in H2O, HDO and D2O

1967 • 22 citations

Experimental data and AB initio calculations of some one-electron properties of the H2O molecule: A comparison

1970 • 16 citations

Calculation of NMR coupling constants with SCF LCGO MO wavefunctions

1971 • 14 citations

Improved uncoupled Hartree-Fock perturbation theory

1971 • 13 citations

Corrections to the Karplus-Kolker variation-perturbation scheme

1971 • 12 citations

Faraday Effect in Molecules

1971 • 10 citations

Calculation of the Diamagnetic Susceptibility of the Water Molecule

1970 • 8 citations

Gauge invariance and average excitation energy approximation in the theory of nuclear magnetic shielding

1970 • 8 citations

p-character and the polarizability of molecular hydrogen

1970 • 7 citations