A coupled states reactive scattering study of bending excited resonances in three-dimensional H + H2
β Scribed by Mitchell C. Colton; George C. Schtz
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 443 KB
- Volume
- 124
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
β¦ Synopsis
Reaction probabilities
from coupled states calculations on the Liu-Siegbahn-Truhlar-Horowitz surface for H + H, are calculated for the energy range 0.90-1.30 eV. Peaks in the ~brationaliy inelastic reaction probabilities near 1.10, 1.20 and 1.22-1.24 eV suggest that bending excited resonances labelled by the quantum numbers (11'0). (12'0) and (12*0) exist.
π SIMILAR VOLUMES
The periodic orbit reduction method is used to analyse time-delay peaks in exact 3D quantal computations. Ofthe six observed peaks in the H + H2 reaction three are related to resonances, the other three to adiabatic barriers.
## Abstract The signs of all ^13^Cο£Ώ^19^F and ^1^Hβ^19^F coupling constants in fluorobenzene, some substituted derivatives, and in 2βfluoropyridine have been related using singleβfrequency ^13^Cο£Ώ{^1^H} double resonance techniques. All ^13^Cο£Ώ^19^F couplings in these compounds are shown to be positive