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Barriers to nitrogen inversion in cyclic and acyclic substituted hydroxylamines. A theoretical study

✍ Scribed by Kost, Daniel.; Raban, Morton.

Book ID
120194964
Publisher
American Chemical Society
Year
1976
Tongue
English
Weight
566 KB
Volume
41
Category
Article
ISSN
0022-3263

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Theoretical barrier to rotation in substituted triptycenes: A semi-empirical and Ab initio study
✍ Gordon M. Elsey; Marisa D. Ciampini; Dennis K. Taylor πŸ“‚ Article πŸ“… 1997 πŸ› Elsevier Science 🌐 French βš– 421 KB

The semi-empirical molecular orbital method AM1 has been found to accurately reproduce both the structure and barrier to rotation in a wide variety of 9substituted triptycenes. Additionally, the general trends observed for derivatives which display the "negative buttressing effect" are also reproduc