40 citations · 56 across the 2 of their papers we have counts for
2 papers
physics.comp-ph1998★ 40 cited
An ab initio path integral Monte Carlo simulation method for molecules and clusters: application to Li_4 and Li_5^+
Ruben O. Weht, Jorge Kohanoff, Dario A. Estrin +1
A novel method for simulating the statistical mechanics of molecular systems in which both nuclear and electronic degrees of freedom are treated quantum mechanically is presented.…
chem-ph1996★ 16 cited
Molecular dynamics study of solvation effects on acid dissociation in aprotic media
Daniel Laria, Raymond Kapral, Dario Estrin +1
Acid ionization in aprotic media is studied using Molecular Dynamics techniques. In particular, models for HCl ionization in acetonitrile and dimethylsulfoxide are investigated. Th…