Partial pair correlation functions of liquid water

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53 Citations (Scopus)


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
Issue number17
Publication statusPublished - Jan 1 1999

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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