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Quantum Mechanical Calculation of Reaction Probabilities and Branching Ratios for the O( 1 D) + HD → OH(OD) + D(H) Reaction on the X̃ 1 A ‘ and 1 1 A ‘ ‘ Adiabatic Potential Energy Surfaces †

✍ Scribed by Hankel, Marlies; Balint-Kurti, Gabriel G.; Gray, Stephen K.


Book ID
126051818
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
118 KB
Volume
105
Category
Article
ISSN
1089-5639

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📜 SIMILAR VOLUMES


Quasiclassical dynamical study of the re
✍ Lawrence J. Dunne 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 412 KB

## Quasiclassical trajectory calculations have been carried out for the reaction 0( 'D) +HD( 'Z\* )4OD/OH (%I) +H/D('S) using a two-valued potential energy surface derived by Murrell, Carter, Mills and Guest. The OD/OH branching ratio on this multivalued surface at 300 K is close to 2, and experim