Computer simulation of polar liquids the influence of molecular shape

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

1977 • 19,896 citations

Electric Moments of Molecules in Liquids

1936 • 5,172 citations

The Dielectric Polarization of Polar Liquids

1939 • 1,812 citations

Improved simulation of liquid water by molecular dynamics

1974 • 1,651 citations

Invariant Expansion for Two-Body Correlations: Thermodynamic Functions, Scattering, and the Ornstein—Zernike Equation

1972 • 481 citations

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

1976 • 292 citations

Reaction field simulation of water

1982 • 197 citations

The influence of boundary conditions used in machine simulations on the structure of polar systems

1980 • 149 citations

Static dielectric properties of Stockmayer fluids

1980 • 143 citations

Static dielectric properties of the Stockmayer fluid from computer simulation

1981 • 100 citations

Structure and dynamics of associated molecular systems. III. Computer simulation of liquid hydrogen chloride

1980 • 68 citations

Long-range dipolar interactions in computer simulations of polar liquids

1978 • 67 citations

RISM calculation of the structure of liquid acetonitrile

1978 • 66 citations

Structure of liquid carbon disulphide: a molecular dynamics study

1979 • 52 citations

Invariant expansion coefficients of the molecular pair correlation function of ZX₄‐systems

1981 • 32 citations

Molecular pair correlation function of liquid acetonitrile derived from perturbation theory with a computer-generated reference function

1981 • 22 citations

Single particle dynamics of liquid carbon disulfide

1981 • 17 citations

Pair correlation functions of liquid CS2. A comparison between statistical-mechanical theories and computer simulation

1981 • 16 citations