Free energy thermodynamic integrations in molecular dynamics simulations using a noniterative method to include electronic polarization
- 1 March 1990
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 167 (3) , 252-254
- https://doi.org/10.1016/0009-2614(90)85014-4
Abstract
No abstract availableKeywords
This publication has 5 references indexed in Scilit:
- A polarizable model for water using distributed charge sitesThe Journal of Chemical Physics, 1988
- A theoretical study of a polar-polarizable model for liquid ammoniaMolecular Physics, 1987
- Computer simulation and theoretical results for a polar-polarizable fluidMolecular Physics, 1985
- New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheresThe Journal of Chemical Physics, 1984
- Thermodynamics and quantum corrections from molecular dynamics for liquid waterThe Journal of Chemical Physics, 1983