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Theoretical study of the reaction C(3P) + N2O(X1Σ+). II. Dynamical trajectory studies on a three-atom model

✍ Scribed by R. Bouachir; M.T. Rayez; B. Duguay; J.C. Rayez

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
937 KB
Volume
90
Category
Article
ISSN
0301-0104

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✍ Yue-meng Ji; Xiao-lei Zhao; Jing-yao Liu; Ying Wang; Ze-sheng Li 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 519 KB

## Abstract The theoretical investigations were performed on the reaction mechanisms for the title reactions CH~3~C(O)CH~3~ + Cl → products (R1), CH~3~C(O)CH~2~Cl + Cl → products (R2), CH~3~C(O)CHCl~2~ + Cl → products (R3), and CH~3~C(O)CCl~3~ + Cl → products (R4) by __ab initio__ direct dynamics a