Kohlmeyer, Axel; Witschel, Wolfgang; Spohr, Eckhard:
Molecular dynamics simulations of water/metal and water/vacuum interfaces with a polarizable water model
In: Chemical Physics, Vol. 213 (1995), No. 1, pp. 211 - 216
1995article/chapter in journal
ChemistryFaculty of Chemistry
Related: 1 publication(s)
Title:
Molecular dynamics simulations of water/metal and water/vacuum interfaces with a polarizable water model
Author:
Kohlmeyer, Axel;Witschel, Wolfgang;Spohr, EckhardUDE
GND
143257005
LSF ID
49123
ORCID
0000-0001-8148-7575ORCID iD
Other
connected with university
Year of publication:
1995

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.