Conformational Statistics of Molecules and Measured Internal Rotation Angles
β Scribed by E. M. Aver'yanov
- Book ID
- 110390144
- Publisher
- SP MAIK Nauka/Interperiodica
- Year
- 2002
- Tongue
- English
- Weight
- 68 KB
- Volume
- 43
- Category
- Article
- ISSN
- 0022-4766
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The hmrtatrons of the concept of a drhedral angle III conformational analysrs are drscussed The madequacy of the descrrptron of molecules as canomcal forms 1s emphasued by ensemble averagmg of quantum mechanical expectation values of the drhedral angle for a srmple. two-fold potentral The unportance
Molecular orbital calculations of sixfold barriers in nitromethane, methyl boron difluoride, and trifluoronitromethane were performed by various HartreeαFock and electron correlation methods. In those calculations, staggered and eclipsed conformations are of primary concern. These results indicated