Quantum and quasiclassical state-to-state dynamics of the NH + H reaction: Competition between abstraction and exchange channels
β Scribed by Li, Zheng; Xie, Changjian; Jiang, Bin; Xie, Daiqian; Liu, Lan; Sun, Zhigang; Zhang, Dong Hui; Guo, Hua
- Book ID
- 120335281
- Publisher
- American Institute of Physics
- Year
- 2011
- Tongue
- English
- Weight
- 893 KB
- Volume
- 134
- Category
- Article
- ISSN
- 0021-9606
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Nascent product quantum state distributions have been measured for reactive, H + D, -+ HD + D, and inelastic, H + D, ---t D,' + H, collisions of H with D2, at collision energies of 0.98 eV, 1.1 eV, and 1.3 eV. These distributions are extracted from coherent anti-Stokes Raman scattering (CARS) spectr
The state-to-state cross sections for D t Hz(u= 1, j= 1 )+HD(u'= I, j' =O-13) +H are calculated at the (very high) total energy 1.8 eV both by quasiclassical trajectories and by a well-converged quantum dynamical variational calculation on the most accurate available potential energy surface. Result