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Reactive Scattering Dynamics on Conically Intersecting Potential Energy Surfaces: The H + H 2 Exchange Reaction †

✍ Scribed by Mahapatra, Susanta; Köppel, Horst; Cederbaum, Lorenz S.

Book ID
127149474
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
107 KB
Volume
105
Category
Article
ISSN
1089-5639

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Classical dynamics calculations for the
Classical dynamics calculations for the F+H2→HF+H reaction on two recent potential energy surfaces
✍ F.J. Aoiz; L. Ban˜ares; V.J. Herrero; V. Sa´ez Ra´banos 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 936 KB

State-resolved integral and differential cross sections have been calculated for the F+ H2 ( v= 0 ) +HF+ H reaction by using the method of quasiclassical trajectories (QCT). The trajectories were run on the two latest versions (SSEC and 6SEC) of a partly ab initio potential energy surface. Dynamical