Partial pair correlation functions of liquid water

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Abstract

A procedure is proposed for deriving the partial pair correlation functions (PPCF's) of liquid water from the experimental total structure factors, applying the reverse Monte Carlo modeling technique [R. L. McGreevy and L. Pusztai, Mol. Simul. 1, 359 (1988)]. The analyses of data on ambient liquid water lead to sets of PPCF's which differ drastically from the most widely accepted set of Soper, Bruni, and Ricci [J. Chem. Phys. 106, 247 (1997)]. The most important difference is that the H-bonding distance is always bigger than suggested previously, at least by about 0.1 Å.

Original languageEnglish
Pages (from-to)11851-11854
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume60
Issue number17
Publication statusPublished - 1999

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ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Partial pair correlation functions of liquid water. / Pusztai, L.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 60, No. 17, 1999, p. 11851-11854.

Research output: Contribution to journalArticle

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