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Exploring the potential energy hypersurfaces for the triple symmetric inversion in 3-azabicyclo[3.3.1]nonan-9-one and its N-methyl derivative

โœ Scribed by Yves G. Smeyers; A. Hernandez-Laguna; Nadine J. Smeyers; M.S. Arias-Perez; M.J. Fernandez


Book ID
113257846
Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
561 KB
Volume
282
Category
Article
ISSN
0166-1280

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๐Ÿ“œ SIMILAR VOLUMES


Exploring potential energy hypersurfaces
โœ Smeyers, N. J.; Melendez, F. J.; Smeyers, Y. G. ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 298 KB

The potential energy hypersurfaces for the triple inversion, from chair to boat and โฃ to โค conformations, are explored theoretically in 3w x azabicyclo 3.3.1 nonan-9-one and its N-methyl derivative, by using ab initio quantum-mechanical calculations. Both compounds are precursors of rigid analogs of