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The F + HD reaction: cross sections and rate constants on an ab initio potential energy surface

✍ Scribed by F.J. Aoiz; L. Bañares; V.J. Herrero; V.Sáez Rábanos; K. Stark; I. Tanarro; H.-J. Werner

Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 597 KB
Volume: 262
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(96)01074-3

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✦ Synopsis

Reaction cross sections and rate constants for the F + HD reaction have been calculated on the recently released Stark-Werner (SW) ab initio potential energy surface (PES) using the quasiclassical trajectory (QCT) method. The results are compared to other theoretical calculations on different PESs and to experinaental isotopic branching ratios. The general agreement is good. Dynamical features related to the asymmetric nature of the HD molecule are also discussed.

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