Modeling of dynamic molecular solvent properties using local and cavity field approaches

Authors
Macak, P Norman, P Luo, Y Agren, H
Citation
P. Macak et al., Modeling of dynamic molecular solvent properties using local and cavity field approaches, J CHEM PHYS, 112(4), 2000, pp. 1868-1875
Citations number
24
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
112
Issue
4
Year of publication
2000
Pages
1868 - 1875
Database
ISI
SICI code
0021-9606(20000122)112:4<1868:MODMSP>2.0.ZU;2-2
Abstract
Current models of solvent properties using cavity reaction field methods ar e analyzed and categorized in two groups according to the use of local fiel ds or cavity fields as the perturbing fields. Analytical connections betwee n the two approaches are derived. (C) 2000 American Institute of Physics. [ S0021-9606(00)50603-5].