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Kinetics of Reactions Involving CN Emission. IV. Study of the Reactions of CN by Electronic Absorption Spectroscopy

✍ Scribed by Boden, J. C.; Thrush, B. A.

Book ID
120143389
Publisher
The Royal Society
Year
1968
Tongue
English
Weight
504 KB
Volume
305
Category
Article
ISSN
0962-8444

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## Abstract The reaction of H radical with C~2~H~5~CN has been studied using various quantum chemistry methods. The geometries were optimized at the B3LYP/6‐311+G(d,p) and B3LYP/6‐311++G(2d,2p) levels. The single‐point energies were calculated using G3 and BMC‐CCSD methods based on B3LYP/6‐311++G(2