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

Roszak, S.; Balasubramian, K.
March 1997
Journal of Chemical Physics;3/8/1997, Vol. 106 Issue 10, p4008
Academic Journal
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.


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