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A VTST Study of the H + O 3 and O + HO 2 Reactions Using a Six-dimensional DMBE Potential Energy Surface for Ground State HO 3

✍ Scribed by Fernández-Ramos, A.; Varandas, A. J. C.

Book ID
118140156
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
152 KB
Volume
106
Category
Article
ISSN
1089-5639

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✍ H. Szichman; A.J.C. Varandas; M. Baer 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 353 KB

We present a three-dimensional quantum mechanical study of the atmospheric highly exothermic reaction 0+0,+20, employing an accurate six-dimensional potential energy surface. The calculated reactive cross-sections are compared with crosssections obtained from a quasi-classical-trajectory calculation