Using a simple 1D + 3D transformation. in which non-collinear motion is treated kinematically. it is shown bow tbr quantum collincx renction probsbilities for F + Hz(u = 0) --) HF(u') + H lead to sideways scattering for U' = 2. but not for u' = 3. Non-collinear motion is treated kinematically. The r
Quantum resonance structure in the three-dimensional F + H2 reaction
โ Scribed by Michael J. Redmon; Robert E. Wyatt
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 456 KB
- Volume
- 63
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
โฆ Synopsis
Receited 12 h&r& 1979 Evidence for ;1. quantum resonance in the three-dimemk~~sl F + Hz (v = OJ F 0) -FH(rf = 2, aUf ) I H reaction is presented-R&t&e to the collinear reztion, this resominCe is much broader and is shifted by al.xmt 0.1 eV to higher enerses. This re~onti~ce has not befz pm&ted in previous qu&cIassiul trajectory computations, 0~ in sppro.Gmiie quantum Calcuwoils.
๐ SIMILAR VOLUMES
## Reduced dimensionality quantum reaction probabilities are reported for the H + H, reaction using the ab initio potenttal surface of Liu, Siegbahn, Truhlar and Horowitz. Resonances are found for the ground and first two excited adiabatic bending states of H,. Comparison of the resonance energies
The log derivative version of the Kohn variational principle is used to calculate J=O reaction probabilities and state-to-state time delays for the Ft HD reaction, on the T5A potential energy surface, in the total energy range &,,=0.236 to 0.350 eV. While the computed reaction probabilities to H t D
A time-dependent quantum dynamics calculation is reported for the O(nD)+ H 2 reaction in three dimensions. Total (final state summed) reaction probabilities, cross sections and rate constants for the title reaction are presented in this study using the potential energy surface of Schinke and Lester