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Gaseous ions. 1. MINDO/3 study of the rearrangement of benzyl cation to tropylium

✍ Scribed by Cone, C.; Dewar, Michael J. S.; Landman, David

Book ID
126947747
Publisher
American Chemical Society
Year
1977
Tongue
English
Weight
506 KB
Volume
99
Category
Article
ISSN
0002-7863

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MINDO/3 Study of the Rearrangement of 1-
MINDO/3 Study of the Rearrangement of 1-Methylcyclohexyl Cation to 1,2-Dimethylcyclopentyl Cation
✍ 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