J. Paraszczak, J.M. Shaw, et al.
Micro and Nano Engineering
The application of ab initio molecular dynamics simulation to bulk molecular systems is reviewed with emphasis on the density functional treatment of intermolecular interactions. Examples discussed are water, hydrogen fluoride, benzene, and sulphuric acid.
J. Paraszczak, J.M. Shaw, et al.
Micro and Nano Engineering
R. Ghez, M.B. Small
JES
A. Reisman, M. Berkenblit, et al.
JES
William G. Van der Sluys, Alfred P. Sattelberger, et al.
Polyhedron