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Studies on the Grignard Reaction-VII (1) on the Mechanism of the Grignard Reagent Formation and the Wurtz Side Reaction in Ether

✍ Scribed by M. Anteunis; J. van Schoote (2)


Publisher
Wiley (John Wiley & Sons)
Year
2010
Weight
433 KB
Volume
72
Category
Article
ISSN
0037-9646

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Computational Studies on 3-Aza-Cope Rear
✍ Rainer F. Winter; Guntram Rauhut πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 192 KB πŸ‘ 2 views

The 3-aza-Cope rearrangements of 3-azoniahexa-1,5-diene (1), 3-azoniahex-1-ene-5-yne (3), and 3-azahex-1-ene-5-yne (5) were investigated up to the coupled-cluster level, CCSD(T), by using a valence triple-zeta basis set. Activation barriers and geometrical parameters of the transition states are pro