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Trajectory Surface Hopping Approach to Nonadiabatic Molecular Collisions: The Reaction of H+ with D2

✍ Scribed by Tully, John C.


Book ID
121380772
Publisher
American Institute of Physics
Year
1971
Tongue
English
Weight
969 KB
Volume
55
Category
Article
ISSN
0021-9606

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Simple "half-collision" classical trajectories on model potential surfaces show that the lack of leaving-atom isotope effects on initial rotational state distributions P(N) in reactions of the type M\*+H2 (HD) -+MH( v, N) +H (D) would result from decomposition of H-M-H( D) intermediates on anisotrop