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Reduced Dimensionality Quantum Scattering Calculations on the F + CH 4 → FH + CH 3 Reaction

✍ Scribed by Nyman, G.; Espinosa-Garcia, J.


Book ID
127377791
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
214 KB
Volume
111
Category
Article
ISSN
1089-5639

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2D and 3D quantum scattering calculation
✍ Gunnar Nyman 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 593 KB

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,