TITLE

An effective transition state for a complex cluster isomerization process: Comparison between

AUTHOR(S)
Fanourgakis, G.S.; Farantos, S.C.
PUB. DATE
March 1997
SOURCE
Journal of Chemical Physics;3/22/1997, Vol. 106 Issue 12, p4954
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Studies the isomerization reaction between two discernible categories of structures of Mg[sup +]Ar[sub 12] with the magnesium cation inside the argon cluster and on the surface of the argon cluster. Computation of the density of states with microcanonical and canonical molecular dynamics techniques; Thermodynamical properties and equilibrium constants.
ACCESSION #
4180967

 

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