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Proton-Transport Catalysis: A Systematic Study of the Rearrangement of the Isoformyl Cation to the Formyl Cation

✍ Scribed by Chalk, Andrew J.; Radom, Leo

Book ID
127334769
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
126 KB
Volume
119
Category
Article
ISSN
0002-7863

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✍ P. M. Viruela-MartΓ­n; I. Nebot-Gil; F. TomΓ‘s; R. Viruela-MartΓ­n πŸ“‚ Article πŸ“… 1986 πŸ› John Wiley and Sons 🌐 English βš– 697 KB

The rearrangement of the 1-methylcyclohexyl cation to the 1,2-dimethylcyclopentyl cation has been studied by MIND0/3 calculations, as an application of the branching mechanism model for cycloalkanes. Possible intermediates and transition states have been characterized by diagonalization of their Hes