TITLE

Structure H clathrate unit cell coordinates and simulation of the structure H crystal interface

AUTHOR(S)
Pratt, Ronald M.; Dong-Hai Mei
PUB. DATE
March 1997
SOURCE
Journal of Chemical Physics;3/8/1997, Vol. 106 Issue 10, p4187
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Determines the Cartesian coordinates for the structure hydrogen clathrate unit cell to within five percent error. Replication of the cell to create a system amenable to molecular dynamics simulation; Tendency for the molecules in the liquid phase of the interfacial region to align themselves in an ordered, solid-like configuration.
ACCESSION #
4171672

 

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