TITLE

Potential energy surfaces for the Ta[sup +]+C[sub 2] reaction

AUTHOR(S)
Roszak, S.; Balasubramian, K.
PUB. DATE
March 1997
SOURCE
Journal of Chemical Physics;3/8/1997, Vol. 106 Issue 10, p4008
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Examines the equilibrium structures, spectroscopic constants and the nature of bonding of tantalum carbide cluster ions of both ground and low lying excited states. Use of ab initio technique including correlation energy at the multireference level; Potential energy surfaces for the reactions with the carbon molecule.
ACCESSION #
4171629

 

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