The hyperspherical method has been used to perform a close coupling calculation on the HtHCl+H2tCI reaction. Partial reaction probabilities and integral and differential cross sections have been computed for energies ranging from threshold up to I eV.
Quantum-mechanical study of the parallel molecule-surface reaction HCl + S → HS + Cl
✍ Scribed by Michael Baer
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 323 KB
- Volume
- 116
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Quantum-mechanical transition probabilities are presented for the molecule HCl(o,) reacting with a solid surface S. i.e. HCl(u,)+S --) HS+ c1: u, = 0,. __ .4. The calculations were done for a fixed parallel approach (y = T/Z) of the molecule_ Results are shown as a function of total energy E,, for the energy range 1.95 G E,,, G 3.3 eV_
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