Theoretical study of substituent effects
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J. AndrΓ©s; J. J. Queralt; V. S. Safont; M. Canle; J. A. Santaballa
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Article
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1996
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John Wiley and Sons
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English
β 637 KB
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