Three-dimensional quantum scattering calculations on the Cl+CH4HCl+CH3 reaction
β Scribed by Yu, Hua-Gen; Nyman, Gunnar
- Book ID
- 121420877
- Publisher
- Royal Society of Chemistry
- Year
- 1999
- Tongue
- English
- Weight
- 246 KB
- Volume
- 1
- Category
- Article
- ISSN
- 1463-9076
- DOI
- 10.1039/A807634K
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π SIMILAR VOLUMES
The effect on the thermal rate constant and the differential cross-sections of varying the dimensionality of quantum scattering calculations of a polyatomic reaction is investigated. The rotating bond approximation (RBA, 3D) and a rotating line approximation (RLA, 2D) are used for the CH, + OH + CH,
The rate constant for the reaction C1+ CH, 1 , CH3 + HCl has been determined over the temperature range of 200"-500"K using a discharge flow system with resonance fluorescence detection of atomic chlorine under conditions of large excess CH4. For 300" > 7' > 200Β°K the data are best fitted to the exp