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Bond-Valence Constraints on Liquid Water Structure
Journal article

Bond-Valence Constraints on Liquid Water Structure

Abstract

The recent controversy about the structure of liquid water pits a new model involving water molecules in relatively stable "rings-and-chains" structures against the standard model that posits water molecules in distorted tetrahedral coordination. Molecular dynamics (MD) simulations, both classical and ab initio, almost uniformly support the standard model, but because none of them can yet reproduce all of the anomalous properties of water, they …

Authors

Bickmore BR; Rosso KM; Brown ID; Kerisit S

Journal

The Journal of Physical Chemistry A, Vol. 113, No. 9, pp. 1847–1857

Publisher

American Chemical Society (ACS)

Publication Date

March 5, 2009

DOI

10.1021/jp810364t

ISSN

1089-5639