The structure and dynamics of doubly occupied Ar hydrate

Hidenosuke Itoh; John S. Tse; Katsuyuki Kawamura

doi:10.1063/1.1414378

The structure and dynamics of doubly occupied Ar hydrate

Hidenosuke Itoh, John S. Tse, Katsuyuki Kawamura

Graduate School of Environmental and Life Science

Research output: Contribution to journal › Article › peer-review

51 Citations (Scopus)

Abstract

A series of molecular dynamics (MD) calculations of Ar hydrate were carried out to investigate the structure and dynamics of doubly occupied Ar hydrate. It was found that the cubic structure is distorted in doubly occupied Ar hydrates. In N₂ hydrate double occupancy in the large cages preceded the full occupation of the small cages.

Original language	English
Pages (from-to)	9414-9420
Number of pages	7
Journal	Journal of Chemical Physics
Volume	115
Issue number	20
DOIs	https://doi.org/10.1063/1.1414378
Publication status	Published - Nov 22 2001

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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