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A quasiclassical trajectory analysis of stereodynamics of the H + FCl (v = 0 – 3,j = 0 – 3) → HCl + F reaction

✍ Scribed by XIAN-FANG YUE; XIANGYANG MIAO


Book ID
107584675
Publisher
Indian Academy of Sciences,Royal Society of Chemistry
Year
2011
Tongue
English
Weight
448 KB
Volume
123
Category
Article
ISSN
0253-4134

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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