Kohlmeyer, Axel; Witschel, Wolfgang; Spohr, Eckhard:

Molecular dynamics simulations of water/metal and water/vacuum interfaces with a polarizable water model

In: Chemical physics : a journal devoted to experimental and theoretical research involving problems of both a chemical and physical nature, Jg. 213 (1995) ; Nr. 1, S. 211-216
ISSN: 0301-0104
Zeitschriftenaufsatz / Fach: Chemie
Fakultät für Chemie
We report results of a comparative computer simulation study of polarizable and non-polarizable water near realistic metal surfaces. The simulations indicate that the explicit treatment of molecular polarizability does not significantly alter the interfacial structure.