Quantum dynamics study of the N(2D) + H2 reaction and the effects of the potential energy surface on the propagation time
β Scribed by M. Hankel; X.-F. Yue
- Book ID
- 116380032
- Publisher
- Elsevier
- Year
- 2012
- Tongue
- English
- Weight
- 700 KB
- Volume
- 990
- Category
- Article
- ISSN
- 2210-271X
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π SIMILAR VOLUMES
In absence of energy barrier, the long-range interactions between reactants should play an important role on the dynamics of the reaction of O Γ° 1 DΓ with H 2 that mainly occurs in the ground state potential energy surface for H 2 O. Quasiclassical and capture studies on a new potential energy surfa
In the present paper, the variational transition-state theory (VTST) method has been used to carry out the dynamical calculations for the D Γ + H 2 ? HD + H Γ reaction and the H Γ + D 2 ? HD + D Γ reaction, respectively. The investigation of the variation of the potential energy curves and the bond