Molecular dynamics with stochastic boundary conditions

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

1967 • 8,657 citations

Correlations in the Motion of Atoms in Liquid Argon

1964 • 2,482 citations

Generalized Langevin equation approach for atom/solid-surface scattering: General formulation for classical scattering off harmonic solids

1976 • 775 citations

Stochastic dynamics for molecules with constraints

1981 • 203 citations

Dynamical theory of activated processes in globular proteins.

1982 • 193 citations

Isomerization dynamics in liquids by molecular dynamics

1980 • 155 citations

Stochastic trajectory simulation of iodine recombination in liquids

1980 • 89 citations

Dynamics of activated processes in globular proteins.

1979 • 86 citations

On the derivation of the generalized Langevin equation for interacting Brownian particles

1981 • 56 citations

Dynamics of tyrosine ring rotations in a globular protein

1980 • 43 citations

Generalized Langevin theory for many-body problems in chemical dynamics: Gas-surface collisions, vibrational energy relaxation in solids, and recombination reactions in liquids

1980 • 36 citations

Efficient trajectory simulation methods for diffusional barrier crossing processes

1980 • 20 citations

Dynamics of liquid state chemical reactions: R-dependent correlation functions for I.+I. in CCl4

1982 • 18 citations