The conformations of simple alkyl substituted 1 ,Bdiphenylethanes and the diastereoisomers of 3-amino-1,2,3triphenyl-1-propyl chloride were studied by the MM2 force field with the addition of electrostatic corrections to the aromatic force field as proposed recently by Allinger and Lii (dipole-dipol
Molecular mechanics (CONFLEX/MM3) search/minimization study of the conformations of ornoside and escuside
β Scribed by Martin I. Kotev; Hitoshi Goto; Petko M. Ivanov
- Publisher
- Elsevier Science
- Year
- 2005
- Tongue
- English
- Weight
- 272 KB
- Volume
- 748
- Category
- Article
- ISSN
- 0022-2860
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
endo-Bicyclo[2.2.2] oct-5-ene-2-carboxylic acid, in acidic solution, cyclizes to give a mixture of three isomeric lactones. These three isomers have different stabilities and are partly interconvertible, but their simultaneous decomposition makes the experimental study of these equilibria difficult
The conformational and electronic properties of the odor compounds, pyrazine and its derivatives, were investigated by molecular mechanics (MM3) and ab initio molecular orbital calculations in order to evaluate an odor activity. The calculated results have suggested that the essential factors to giv
## Abstract The conformational analysis of three 1,2β3,4βdiβ__O__βMethylenepyranoses was carried out using NMR (coupling constants and homonuclear Overhauser effect) and theoretical (MM2 calculations) methods. A preferred twistβboat conformation was found.