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Dynamical effects of mode specific excitation in unimolecular decomposition: A trajectory study of C2H6

✍ Scribed by J. Santamaria; D.L. Bunker; E.R Grant


Publisher
Elsevier Science
Year
1978
Tongue
English
Weight
510 KB
Volume
56
Category
Article
ISSN
0009-2614

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The unimolecular decomposition of substituted N-chloro-a-glycine anions was examined by an ab initio method using the 6-31G\* basis set to obtain an insight into the relationship between transition-state structure and reactivity. The complete potential energy surface was explored and the stationary