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Quantum-mechanical dynamics and quasiclassical trajectories for comparison to stimulated Raman pumping measurements of the high-energy state-to-state reaction dynamics of D+H2(ν=j=1)→HD(ν′=1,j′)+H

✍ Scribed by Normand C. Blais; Meishan Zhao; Donald G. Truhlar; David W. Schwenke; Donald J. Kouri


Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
709 KB
Volume
166
Category
Article
ISSN
0009-2614

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✦ Synopsis


The state-to-state cross sections for D t Hz(u= 1, j= 1 )+HD(u'= I, j' =O-13) +H are calculated at the (very high) total energy 1.8 eV both by quasiclassical trajectories and by a well-converged quantum dynamical variational calculation on the most accurate available potential energy surface. Results are compared to the recent experiment of Kliner and Zare.