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Correlations among hydrogen bonds in liquid water

Raiteri, P.
•
Laio, A.
•
Parrinello, M.
2004
  • journal article

Periodico
PHYSICAL REVIEW LETTERS
Abstract
By performing computer simulations of water with the TIP5P potential we show that structures formed by two or more hydrogen bonds affect the dynamical and static properties of water, especially in the vicinity of freezing temperature. In particular, the short time correlation between two coupled hydrogen bonds cannot be predicted assuming the statistical independence of the single hydrogen bonds. This introduces an additional relaxation time of similar to9 ps close to the freezing point. We also find that the time persistence of structures formed by several hydrogen bonds (the first solvation shell) correlates with the local density, which is smaller around water molecules with a long-living environment
DOI
10.1103/PhysRevLett.93.087801
WOS
WOS:000223472400069
Archivio
http://hdl.handle.net/20.500.11767/14007
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-19544368282
Diritti
metadata only access
Soggetti
  • Molecular dynamics

  • Spectroscopy

Web of Science© citazioni
61
Data di acquisizione
Mar 24, 2024
Visualizzazioni
7
Data di acquisizione
Apr 19, 2024
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