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The H + N 2 O → OH + N 2 Reaction Dynamics on an Interpolated QCISD Potential Energy Surface. A Quasiclassical Trajectory Study

✍ Scribed by Castillo, J. F.; Aoiz, F. J.; Bañares, L.; Collins, M. A.


Book ID
127130969
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
344 KB
Volume
108
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