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Is there a barrier for the C2v insertion reaction in O(1D)+H2? A test dynamics study based on two-valued energy-switching potential energy surfaces

✍ Scribed by A.J.C Varandas; A.I Voronin; P.J.S.B Caridade; A Riganelli

Book ID: 108312124
Publisher: Elsevier Science
Year: 2000
Tongue: English
Weight: 243 KB
Volume: 331
Category: Article
ISSN: 0009-2614
DOI: 10.1016/s0009-2614(00)01225-2

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Quasiclassical dynamical study of the reaction O(1D)+HD(1Σ+)→OD/OH(2Π)+H/D(2S) on a two-valued potential energy surface

✍ 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