@theochem

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

, , , , , , und . Chem. Phys. Lett. 262 (3-4): 175–182 (1996)

Zusammenfassung

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 experimental isotopic branching ratios. The general agreement is good. Dynamical features related to the asymmetric nature of the HD molecule are also discussed.

Links und Ressourcen

DOI:
10.1016/0009-2614(96)01074-3
URL:
BibTeX-Schlüssel:
publ9376183
Suchen auf:

Kommentare und Rezensionen  
(0)

Es gibt bisher keine Rezension oder Kommentar. Sie können eine schreiben!

Tags


Zitieren Sie diese Publikation