On the nature of the anomeric effect
β Scribed by Yu.A. Zhdanov; R.M. Minyaev; V.I. Minkin
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 488 KB
- Volume
- 16
- Category
- Article
- ISSN
- 0022-2860
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## Abstract Highβlevel __ab initio__ calculations have been made for fluoromethylamine to study structural and energetic effects of the relative orientation of the N lone pair to the Cο£ΏF bond. The __anti__βconformer (N lone pair __anti__βplanar to the Cο£ΏF bond) corresponds to the global energy mini
The tendency of C-0 bond lengths to change as a function of the torsional angles at an acetal carbon has been included in a new version of the molecular mechanics program ~~2 ( 8 2 ) , based on the observed behavior of molecules of this class as indicated by ab initio calculations and experimental s