TITLE

Ab initio study of the photodissociation of HCO in the first absorption band: Three-dimensional

AUTHOR(S)
Loettgers, Andrea; Untch, Agathe; Keller, Hans-Martin; Schinke, Reinhard; Werner, Hans-Joachim; Bauer, Cornelia; Rosmus, Pavel
PUB. DATE
February 1997
SOURCE
Journal of Chemical Physics;2/22/1997, Vol. 106 Issue 8, p3186
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Presents a comprehensive investigation of the Renner-Teller induced dissociation of HCO following excitation in the first absorption band. Generation of corresponding potential energy surfaces from electronic structure calculations; Propagation of wave packets including all three internal degrees of freedom in the dynamics calculations.
ACCESSION #
4292564

 

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