Seven different optimized conformers of Ξ±-fluoroglycine (H 2 NCHFCOOH) were obtained from ab initio calculations. Some of these conformers are exceptionally stable compared to similar conformers of glycine. Conformers in which the lone pair of electrons on the nitrogen atom are antiperiplanar to the
β¦ LIBER β¦
Theoretical conformational analysis of rutin
β Scribed by Paolo Matteini; Andrea Goti; Giovanni Agati
- Publisher
- Springer Vienna
- Year
- 2010
- Tongue
- English
- Weight
- 350 KB
- Volume
- 141
- Category
- Article
- ISSN
- 0026-9247
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## Abstract The conformational structure of some biologically important compounds (formamide, 1βmethylβ1,4βdihydronicotinamide, and chlorocholine) was examined using quantumβchemical methods. For each of the systems studied a theoretical model (supermolecule approximation, classical continuum model