Theoretical study of isotope effects on the stereodynamics of H++HD and its isotopic variant D++HD
β Scribed by Junsheng Chen; Luoqiu Wang
- Publisher
- Springer-Verlag
- Year
- 2011
- Tongue
- English
- Weight
- 540 KB
- Volume
- 17
- Category
- Article
- ISSN
- 1610-2940
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π SIMILAR VOLUMES
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
The moderately exotherrnic ion-molecule reaction O+ t Hz and its isotopic variants have been the subject of several dynamical studies in our group. In this work we report an extensive quasiclassical trajectory study on the dynamics of this system at different initial relative energies considering a