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FTIR and Mass-Spectrometric Measurements of the Rate Constant for the C 6 H 5 + H 2 Reaction

✍ Scribed by Park, J.; Dyakov, I. V.; Lin, M. C.


Book ID
124071640
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
115 KB
Volume
101
Category
Article
ISSN
1089-5639

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## Abstract The reaction C~2~H~5~ + HBr β†’ C~2~H~6~ + Br has been theoretically studied over the temperature range from 200 to 1400 K. The electronic structure information is calculated at the BHLYP/6‐311+G(d,p) and QCISD/6‐31+G(d) levels. With the aid of intrinsic reaction coordinate theory, the mi