Ab initio studies of cyclic water clusters (H2O)n, n=1–6. II. Analysis of many-body interactions

Comparison of simple potential functions for simulating liquid water

1983 • 37,746 citations

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

1989 • 29,475 citations

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

1970 • 20,717 citations

Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions

1992 • 14,432 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

Application of systematic sequences of wave functions to the water dimer

1992 • 1,081 citations

Ab initio studies of cyclic water clusters (H2O)n, n=1–6. I. Optimal structures and vibrational spectra

1993 • 805 citations

Partially deuterated water dimers: Microwave spectra and structure

1980 • 642 citations

Water and Aqueous Solutions

1992 • 642 citations

Water Molecule Interactions

1970 • 620 citations

Revised central force potentials for water

1978 • 520 citations

Structure of water; A Monte Carlo calculation

1969 • 506 citations

Measurement of Quantum Tunneling Between Chiral Isomers of the Cyclic Water Trimer

1992 • 410 citations

Intermolecular potential functions and the properties of water

1982 • 391 citations

Cooperative (nonpairwise) effects in water trimers: An ab initio molecular orbital study

1992 • 373 citations

Ion solvation in polarizable water: molecular dynamics simulations

1991 • 366 citations

Molecular Dynamics Study of Temperature Effects on Water Structure and Kinetics

1972 • 345 citations

Thermodynamics and quantum corrections from molecular dynamics for liquid water

1983 • 315 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

Revisiting small clusters of water molecules

1986 • 303 citations

Study of the structure of molecular complexes. XIII. Monte Carlo simulation of liquid water with a configuration interaction pair potential

1976 • 292 citations

A theoretical study of the water dimer interaction

1988 • 260 citations

The structure of the water trimer from ab initio calculations

1993 • 243 citations

Ab initio studies of the water dimer using large basis sets: The structure and thermodynamic energies

1992 • 242 citations

The nonadditive intermolecular potential for water revised

1992 • 240 citations

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

1974 • 238 citations

Water–water and water–ion potential functions including terms for many body effects

1985 • 232 citations

Structure, energetics, and dynamics of small water clusters

1975 • 192 citations

The structure and vibrational spectra of small clusters of water molecules

1984 • 190 citations

Nonadditivity of interaction in water trimers

1980 • 186 citations

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

1951 • 182 citations

An analysis of the hydrogen bond in ice

1990 • 160 citations

Monte Carlo calculations in the isothermal-isobaric ensemble. 1. Liquid water

1977 • 158 citations

Structures and vibrational spectra of water clusters in the self-consistent-field approximation

1992 • 150 citations

A b i n i t i o study of intermolecular potential of H2O trimer

1991 • 148 citations

Monte Carlo liquid water simulation with four-body interactions included

1984 • 128 citations

Theory of molecular interactions. III. A comparison of studies of H2O polymers using different molecular-orbital basis sets

1973 • 122 citations

An accurate potential for deformable water molecules

1977 • 106 citations

Structure of ice Ih. A b i n i t i o two- and three-body water–water potentials and geometry optimization

1985 • 99 citations

Theoretical study of water clusters. I. Pentamer

1993 • 62 citations

Many-body effects in tetrahedral water clusters

1988 • 57 citations

Characterization of the bifurcated structure of the water dimer

1991 • 44 citations

Electronic correlation contribution to the three‐body potentials for water trimers

1983 • 37 citations

Molecular dynamics studies of hydrogen-bonded liquids

1978 • 30 citations

Four-body nonadditivity in liquid water

1991 • 12 citations