TITLE

Quantum mechanical and quasiclassical calculations for the H+D2→HD+D reaction: Reaction probabilities and differential cross sections

AUTHOR(S)
Aoiz, F. J.; Bañares, L.; D’Mello, M. J.; Herrero, V. J.; Rábanos, V. Sáez; Schnieder, L.; Wyatt, R. E.
PUB. DATE
October 1994
SOURCE
Journal of Chemical Physics;10/1/1994, Vol. 101 Issue 7, p5781
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
A detailed comparison of quasiclassical trajectory (QCT) and quantum mechanical (QM) reaction probabilities and differential cross sections for the H+D2→HD+D reaction at the collision energies of 0.54 and 1.29 eV has been carried out using the same potential energy surface. The theoretical simulation of the recently published experimental results is also reported. The comparisons made here demonstrate the level of agreement between QCT and QM approaches, as well as between theory and experiment for this reaction.
ACCESSION #
7648783

 

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