Hydrogen bonds in water network organization and lifetimes

D. C. Rapaport

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524 Scopus citations

Abstract

Equilibrium and dynamical properties of the hydrogen bonds in liquid water are analysed using the results of molecular dynamics simulations of the MCY-CI model. Properties of the hydrogen bond clusters as functions of temperature are described. The connectivity of the clusters is analysed in terms of the bridgeless polygons which are formed by the bonds. The problem of obtaining a meaningful definition of bond lifetime is discussed, and the results of lifetime measurements based on alternative definitions are shown.

Original languageEnglish
Pages (from-to)1151-1162
Number of pages12
JournalMolecular Physics
Volume50
Issue number5
DOIs
StatePublished - Dec 1983

Bibliographical note

Funding Information:
This work was begun during a stay at Cornell University and was supported in part by grants from the NSF and NIH. Professor H. A. Scheraga is thanked for his kind hospitality.

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