Nonadditivity in an analytical intermolecular potential: The water–water interaction

Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

1967 • 8,657 citations

The structure and properties of water

1970 • 2,973 citations

CI study of the water dimer potential surface

1976 • 1,162 citations

Non‐linear Transformations of Divergent and Slowly Convergent Sequences

1955 • 1,059 citations

Properties of ordinary water-substance

1940 • 825 citations

The structure of water dimer from molecular beam electric resonance spectroscopy

1977 • 739 citations

Liquid Water: Molecular Correlation Functions from X-Ray Diffraction

1971 • 664 citations

A new determination of the structure of water at 25°C

1986 • 585 citations

Thermodynamics and quantum corrections from molecular dynamics for liquid water

1983 • 315 citations

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

1970 • 297 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

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

1985 • 232 citations

Molecular-dynamics simulation of liquid water with anab initioflexible water-water interaction potential

1986 • 229 citations

Nonadditivity of interaction in water trimers

1980 • 186 citations

Molecular dynamics and x-ray investigation of an aqueous calcium chloride solution

1985 • 164 citations

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

1977 • 158 citations

Monte Carlo liquid water simulation with four-body interactions included

1984 • 128 citations

Dimers of the Water Molecule in the Earth's Atmosphere

1969 • 124 citations

Ab initio computational chemistry

1985 • 75 citations

On the determination of the pair correlation function from liquid structure factor measurements

1986 • 61 citations

The structure of liquid water at room temperature

1984 • 41 citations

The role of nonadditive effects in the second hydration shell of Mg2+ and Ca2+. A molecular orbital study of the three-body potential energy surface

1984 • 37 citations