TITLE

A coupled-cluster ab initio study of triplet C[sub 3]H[sub 2] and the neutral-neutral reaction to

AUTHOR(S)
Ochsenfeld, Christian; Kaiser, Ralf I.
PUB. DATE
March 1997
SOURCE
Journal of Chemical Physics;3/8/1997, Vol. 106 Issue 10, p4141
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Presents ab initio calculations for the initially formed propenylidene collision complexes of molecular beam experiments. Importance of resolving energetics and properties of the intermediates; Agreement of computed reaction energies with results from molecular beam experiments; Advantages of the combination of crossed molecular beam experiments.
ACCESSION #
4171671

 

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