Accurate 3D coupled channel calculations are presented for the reaction Net Hz +NeH\* t H computed with the diatomicsin-molecules potential of Hayes and co-workers. Reaction probabilities for total angular momentum J=O and total energies up to I. 1 eV are reported. The hyperspherical formulation of
Three-Dimensional Quantum Mechanical Treatment of the Reaction Ne + H 2+ → NeH + + H
✍ Scribed by Gilibert, M.; Blasco, R. M.; Gonzalez, M.; Gimenez, X.; Aguilar, A.; Last, I.; Baer, M.
- Book ID
- 127364730
- Publisher
- American Chemical Society
- Year
- 1997
- Tongue
- English
- Weight
- 107 KB
- Volume
- 101
- Category
- Article
- ISSN
- 1089-5639
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📜 SIMILAR VOLUMES
A comparison between variational RRKM theory and three-dimensional quantum scattering theory calculations of the cumulative reaction probability for the Ne + Hz +NeH+ +H reaction is presented. Total angular momentum J=O is considered with the energy ranging from the threshold for reaction (0.7 144 e
## Abstract A three‐dimensional potential energy surface for the ^2^A′ ground state of the system (NeH~2~)^+^ (^2^Σ^+^ in collinear geometry) has been calculated at SCF and CEPA levels. This surface describes the abstraction reaction which is endoergic by 0.57 eV (Δ__H__^0^~0~) and has been studi