Quasi-classical trajectory approach to the stereo-dynamics of the reaction F + HO → HF + O
✍ Scribed by Juan Zhao; Yan Xu; Xian Zhao; QingTian Meng
- Book ID
- 107349038
- Publisher
- SP Science China Press
- Year
- 2010
- Tongue
- English
- Weight
- 780 KB
- Volume
- 53
- Category
- Article
- ISSN
- 1674-7291
No coin nor oath required. For personal study only.
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Quasi-classical dynamic threshold energies have been determined for two important reactive transitions in the F + H2 &action by performins estensive three-dimensional trajectory calculations for the corresponding reverse reactions. It is 'found that the energetic and dlynamic thresholds for the reac
Theoretical studies of the dynamics of the reaction F + DCl(v = 0, j = 0) ? DF + Cl are performed with quasi-classical trajectory (QCT) method on a recently computed 1 2 A 0 ground-state surface reported by Deskevich et al. [33]. The calculated QCT reaction probabilities for total angular momentum J