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Quantum Scattering Calculations of the H + O 2 → O + OH Reaction †

✍ Scribed by Sultanov, Renat A.; Balakrishnan, N.


Book ID
125479685
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
78 KB
Volume
108
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,