Structure and dynamics of the “configuration interaction” model of liquid water

Improved simulation of liquid water by molecular dynamics

1974 • 1,651 citations

Self-diffusion in normal and heavy water in the range 1-45.deg.

1973 • 1,622 citations

CI study of the water dimer potential surface

1976 • 1,162 citations

Some multistep methods for use in molecular dynamics calculations

1976 • 889 citations

Liquid Water: Molecular Correlation Functions from X-Ray Diffraction

1971 • 664 citations

Singularity free algorithm for molecular dynamics simulation of rigid polyatomics

1977 • 488 citations

Molecular Dynamics Study of Temperature Effects on Water Structure and Kinetics

1972 • 345 citations

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

1976 • 292 citations

On the force bias Monte Carlo simulation of water: methodology, optimization and comparison with molecular dynamics

1979 • 194 citations

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

1977 • 158 citations

Convergence characteristics of Monte Carlo–Metropolis computer simulations on liquid water

1979 • 81 citations

Attached Scientific Processors for Chemical Computations: A Report to the Chemistry Community

2012 • 4 citations