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Bulletin of the Chemical Society of Japan
Article . 1977 . Peer-reviewed
License: OUP Standard Publication Reuse
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Statistical Mechanical Calculation of the Radial Distribution Function for a Water-like Fluid

Authors: Fumio Hirata;

Statistical Mechanical Calculation of the Radial Distribution Function for a Water-like Fluid

Abstract

Abstract The radial distribution function (RDF) for a water-like system, which has the fundamental characteristics of water, is calculated using the graph-theoretical technique developed by Andersen and Chandler. An interaction potential devised to simulate the hydrogen bond is regarded as a perturbation of the pair interaction between the two molecules of a reference system which consists of hard spheres each having a point dipole at each center. The effect of the hydrogen bond-like potential on the distribution of the molecules is shown explicitly. The results show a tetrahedral coordination similar to that in water. The resulting RDF has qualitatively reproduced the features observed in the experimental RDF curve for water.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
9
Average
Top 10%
Average
bronze