Kohlmeyer, Axel; Witschel, Wolfgang; Spohr, Eckhard:
Molecular dynamics simulations of water/metal and water/vacuum interfaces with a polarizable water model
1995
In: Chemical physics : a journal devoted to experimental and theoretical research involving problems of both a chemical and physical nature, Jg. 213 (1995), Heft 1, S. 211 - 216
Artikel/Aufsatz in Zeitschrift / Fach: Chemie
Fakultät für Chemie
Titel:
Molecular dynamics simulations of water/metal and water/vacuum interfaces with a polarizable water model
Autor(in):
Kohlmeyer, Axel; Witschel, Wolfgang; Spohr, Eckhard im Online-Personal- und -Vorlesungsverzeichnis LSF anzeigen
Erscheinungsjahr
1995
Erschienen in:
Chemical physics : a journal devoted to experimental and theoretical research involving problems of both a chemical and physical nature, Jg. 213 (1995), Heft 1, S. 211 - 216
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Signatur der UB
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Abstract:

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.