Polarization and correlation effects on the nitrogen inversion barrier of some three-membered rings have been investigated. The characteristics of the barrier have been analyzed in terms of perturbation theory arguments. This analysis shows that the HOMO is the orbital that changes more dramatically
Ring inversion barrier of diazepam and derivatives: An ab Initio study
✍ Scribed by Béla Paizs; Miklós Simonyi
- Publisher
- John Wiley and Sons
- Year
- 1999
- Tongue
- English
- Weight
- 119 KB
- Volume
- 11
- Category
- Article
- ISSN
- 0899-0042
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