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,
✦ LIBER ✦
Kinetic Isotope Effects in the Reactions of D Atoms with CH 4 , C 2 H 6 , and CH 3 OH: Quantum Dynamics Calculations †
✍ Scribed by Kerkeni, Boutheïna; Clary, David C.
- Book ID
- 120492896
- Publisher
- American Chemical Society
- Year
- 2004
- Tongue
- English
- Weight
- 126 KB
- Volume
- 108
- Category
- Article
- ISSN
- 1089-5639
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