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Ab Initio Chemical Kinetic Study on the Reactions of ClO with C 2 H 2 and C 2 H 4

โœ Scribed by Zhu, R. S.; Lin, M. C.


Book ID
120055779
Publisher
American Chemical Society
Year
2010
Tongue
English
Weight
349 KB
Volume
114
Category
Article
ISSN
1089-5639

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Kinetic isotope effects for the H2 + C2H
โœ Liping Ju; Dongsheng Wang ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 184 KB

## Abstract In the present paper, kinetic isotope effects of the title reaction are studied with canonical variational transition state theory on the modified Wang Bowman (MWB) potential energy surface (PES) (__Chem Phys Lett__ 2005, 409, 249) and the ab initio calculations at the quadratic configu