Use of a non-pair-additive intermolecular potential function to fit quantum-mechanical data on water molecule interactions

The structure and properties of water

1970 • 2,973 citations

Improved simulation of liquid water by molecular dynamics

1974 • 1,651 citations

Molecular Dynamics Study of Liquid Water

1971 • 1,365 citations

CI study of the water dimer potential surface

1976 • 1,162 citations

Water Molecule Interactions

1970 • 620 citations

Molecular quadrupole moments

1959 • 558 citations

Theory of Molecular Interactions. I. Molecular Orbital Studies of Water Polymers Using a Minimal Slater-Type Basis

1970 • 384 citations

Study of the structure of molecular complexes. IV. The Hartree-Fock potential for the water dimer and its application to the liquid state

1973 • 315 citations

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

1975 • 312 citations

Water and aqueous solutions;: Structure, thermodynamics, and transport processes

1971 • 301 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

Second Virial Coefficients of Polar Gases

1941 • 264 citations

Molecular-Orbital Studies of Hydrogen Bonds. An Ab Initio Calculation for Dimeric H2O

1968 • 243 citations

Study of the structure of molecular complexes. VI. Dimers and small clusters of water molecules in the Hartree-Fock approximation

1974 • 238 citations

Electric dipole moments of low J states of H2O and D2O

1973 • 227 citations

Theory of the Hydrogen Bond: Electronic Structure and Properties of the Water Dimer

1969 • 189 citations

The lattice energy of ice and the second virial coefficient of water vapour

1951 • 182 citations

Molecular dynamics study of liquid water under high compression

1974 • 175 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

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

1971 • 138 citations

On the molecular theory of dielectric polarization

1958 • 108 citations

Study of the structure of molecular complexes. VII. Effect of correlation energy corrections to the Hartree-Fock water-water potential on Monte Carlo simulations of liquid water

1974 • 97 citations

Water molecule interactions. Stability of cyclic polymers

1973 • 93 citations

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

1971 • 74 citations

Effective pair interactions in liquids. Water

1970 • 48 citations

New model of liquid water

1972 • 44 citations

Efficient multipole expansion: Choice of order and density partitioning techniques

1977 • 43 citations

THE HYDROGEN BOND

1959 • 42 citations

A quntitative demonstration of the domain of convergence of multipole representations of molecular potentials

1972 • 39 citations

The lattice energy of hydrogen cyanide

1969 • 37 citations

Interpretation of the Energy of Hydrogen Bonding; Permanent Multipole Contribution to the Energy of Ice as a Function of the Arrangement of Hydrogens

1967 • 19 citations

Non-additive interactions

1971 • 12 citations

A computational procedure for obtaining the poles of a spherical harmonic of order N; Application to the multipole expansion of electrostatic interaction

1976 • 11 citations

Efficient construction of directional derivatives of a function of a vector magnitude and maxwell's invariant multipole form

1976 • 10 citations