Journal Article

PreJuSER-50863

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Dynamics of the hydrogen bond network in liquid water

Sutmann, G.FZJ* ; Vallauri, R.

2002
Elsevier New York, NY [u.a.]

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Please use a persistent id in citations: doi:10.1016/S0167-7322(01)00320-8

Abstract: The dynamics of the hydrogen bonded network in liquid water is studied by means of molecular dynamics simulations for the SPC/E water model at different thermodynamic conditions. The n-folded hydrogen bond coordination of single molecules and the life time of such configurations is studied by correlation functions. A special focus is put on the dynamics of associated trimers. A velocity projection technique is applied to study the trimer dynamics and to interpret the corresponding velocity-autocorrelation function of single molecules. (C) 2002 Elsevier Science B.V. All rights reserved.

Keyword(s): J

Note: Record converted from VDB: 12.11.2012

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Contributing Institute(s):

1. Zentralinstitut für Angewandte Mathematik (ZAM)

Research Program(s):

1. Methoden und Systeme der Informationstechnik (I02)
2. Simulation and Data Laboratory Complex Particle Systems (SDLCPS)

Appears in the scientific report 2002

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