Intermolecular potential functions and the properties of water

Improved simulation of liquid water by molecular dynamics

1974 • 1,651 citations

CI study of the water dimer potential surface

1976 • 1,162 citations

Water Revisited

1980 • 1,048 citations

The structure of water dimer from molecular beam electric resonance spectroscopy

1977 • 739 citations

Partially deuterated water dimers: Microwave spectra and structure

1980 • 642 citations

The Entropy of Water and the Third Law of Thermodynamics. The Heat Capacity of Ice from 15 to 273°K.

1936 • 571 citations

Intermolecular forces in simple systems

1977 • 532 citations

Structure of water; A Monte Carlo calculation

1969 • 506 citations

Polarization model for water and its ionic dissociation products

1978 • 382 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

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 simple but reliable method for the prediction of intermolecular potentials

1975 • 257 citations

Central-force model for liquid water

1975 • 256 citations

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

1974 • 238 citations

Study of a central force model for liquid water by molecular dynamics

1975 • 214 citations

Group theoretical classification of the tunneling–rotational energy levels of water dimer

1977 • 194 citations

Systematic study of the nine hydrogen-bonded dimers involving ammonia, water, and hydrofluoric acid

1975 • 189 citations

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

1951 • 182 citations

The second virial coefficients of polar gases

1949 • 181 citations

Freezing Parameters and Compressions of Twenty-One Substances to 50,000 Kg/Cm⁲

1942 • 180 citations

Monte Carlo studies of liquid water

1974 • 170 citations

ICE VII, THE DENSEST FORM OF ICE

1964 • 126 citations

Dimers of the Water Molecule in the Earth's Atmosphere

1969 • 124 citations

The water–water pair potential near the hydrogen bonded equilibrium configuration

1980 • 118 citations

Compression and bonding of ice VII and an empirical linear expression for the isothermal compression of solids

1975 • 114 citations

A zeroth order random network model of liquid water

1979 • 110 citations

Structure and dynamics of associated molecular systems. I. Computer simulation of liquid hydrogen fluoride

1979 • 110 citations

An accurate potential for deformable water molecules

1977 • 106 citations

Gitterparameter von Eis I bei tiefen Temperaturen

1967 • 101 citations

PVT Properties of Water. II. Virial Coefficients in the Range 150°–450°C without Independent Measurement of Vapor Volumes

1968 • 99 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

Triple-dipole energies for H, He, Li, N, O, H₂, N₂, O₂, NO, N₂O, H₂O, NH₃and CH₄evaluated using pseudo-spectral dipole oscillator strength distributions

1978 • 83 citations

Low-Temperature Speed of Sound in Single-Crystal Ice

1966 • 82 citations

The thermodynamics and structure of liquid water

1974 • 76 citations

W�rmeausdehnung von H2O- und D2O-Einkristallen

1962 • 76 citations

A theoretical study of the structure of liquid water based on quasi-component distribution functions

1977 • 66 citations

Interactions between benzene molecules

1976 • 66 citations

Preliminary Investigation of the Phase Boundaries between Ice VI and VII and Ice VI and VIII

1966 • 63 citations

Thermal expansion of H2O and D2O single crystals

1962 • 54 citations

Monte carlo results for hydrogen bond distributions in liquid water11Quantum and statistical mechanical studies of liquids, 9. Part 8 ref. [6].

1980 • 52 citations

Semiempirical Determination of the Hydrogen Bond Energy for Water Clusters in the Vapor Phase. I. General Theory and Application to the Dimer

1969 • 47 citations

An intermolecular potential for (NH3)2

1978 • 44 citations

The entropy of liquid water from the random network model

1980 • 41 citations

Intermolecular potentials and the simulation of liquid water

1978 • 41 citations

The enthalpy and heat capacity of liquid water and the ice polymorphs from a random network model

1980 • 40 citations

Structure and dynamics of associated molecular systems. II. Atom–atom potentials and the properties of ammonia

1979 • 40 citations

On the additivity of atomic and molecular dipole properties and dispersion energies using H, N, O, H₂, N₂, O₂, NO, N₂O, NH₃and H₂O as models

1980 • 38 citations

Empirical intermolecular potential energy function of water

1974 • 35 citations

Calculation of the second virial coefficients for water using a recent ’’a b i n i t i o’’ potential

1976 • 34 citations

Interactions between benzene molecules

1975 • 34 citations

Water-water pair interactions and the second virial coefficient of steam

1974 • 32 citations

Computer simulation of hexagonal ice

1977 • 30 citations

Effect of Pressure on the Volume of the High-Pressure (VII) Phase of H2O and D2O

1968 • 28 citations

Pairwise additive third virial coefficients for multipolar molecules : Application to water vapour

1971 • 18 citations

First quantum corrections to the second virial coefficient of a Stockmayer gas

1970 • 16 citations

Is a two-state model approach applicable to liquid water?

1980 • 11 citations

Calculations of the second virial coefficients for water and ammonia

1974 • 7 citations

Intermolecular interactions in water vapour

1972 • 6 citations

Relaxational compressibility in liquid water

1980 • 4 citations

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

1975 • 3 citations