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Quantum wave packet dynamics study of the S(3P) + H2 reaction on the lowest SH2(13A′′) state

✍ Scribed by Shuang-Jiang Lv; Pei-Yu Zhang; Meiyu Zhao; Guo-Zhong He


Book ID
119221110
Publisher
Elsevier
Year
2012
Tongue
English
Weight
728 KB
Volume
997
Category
Article
ISSN
2210-271X

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Stereodynamics study of the C(3P) +
✍ Yijue Ding; Ying Shi 📂 Article 📅 2011 🏛 Elsevier 🌐 English ⚖ 818 KB

Quasiclassical trajectory (QCT) calculations have been performed to study the stereodynamics of the reaction C( 3 P) + OH(X 2 P) ? CO(X 1 R + ) + H( 2 S) using a recent ab initio potential energy surface on the ground electronic state X 2 A 0 of COH. The cross section and reaction probability are ca