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The Kinetics of the Reactions of C 2 (a 3 Π u ) with Alcohols

✍ Scribed by Huang, Cunshun; Zhu, Zhiqiang; Wang, Hailing; Pei, Linsen; Chen, Yang

Book ID
126919092
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
112 KB
Volume
109
Category
Article
ISSN
1089-5639

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✍ Rui-Ping Huo; Xu-Ri Huang; Ji-Lai Li; Xiang Zhang; Na Li; Chia-Chung Sun 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 546 KB

## Abstract The reaction of C~2~(A^3^Π~__u__~) with CH~4~ has been investigated over a wide temperature range 200–3,000 K by direct ab initio dynamics method at the BMC‐CCSD//BB1K/6‐311+G(2d,2p) level of theory. The optimized geometries and frequencies of the stationary points are calculated at the