MOLECULAR DYNAMIC STUDY OF ELECTRIC POTENTIALS IN WATER CLUSTERS CONTAINING THE SODIUM OR CHLORINE ATOM

Authors
GALASHEV AE SERVIDA A SIGON F
Citation
Ae. Galashev et al., MOLECULAR DYNAMIC STUDY OF ELECTRIC POTENTIALS IN WATER CLUSTERS CONTAINING THE SODIUM OR CHLORINE ATOM, Journal of structural chemistry, 39(1), 1998, pp. 53-59
Citations number
29
Categorie Soggetti
Chemistry Inorganic & Nuclear","Chemistry Physical
Journal title
Journal of structural chemistry → ACNP
ISSN journal
00224766
Volume
39
Issue
1
Year of publication
1998
Pages
53 - 59
Database
ISI
SICI code
0022-4766(1998)39:1<53:MDSOEP>2.0.ZU;2-S
Abstract
Molecular dynamics with design is used to calculate the electric poten tials of isolated water clusters containing Naf or CI: The number of w afer molecules in the clusters is from 4 to 14. It is noted that elect rostatic interaction plays a dominant role in the clusters; the depend ence of the dielectric constant of the cluster on the size of the latt er is determined.