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Conformational Statistics of Molecules and Measured Internal Rotation Angles

✍ 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

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πŸ“œ SIMILAR VOLUMES


Conformational analysis and the quantum
✍ Timothy A. WIildman πŸ“‚ Article πŸ“… 1980 πŸ› Elsevier Science 🌐 English βš– 435 KB

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

Internal rotation study of some sixfold
✍ P. C. Chen πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 135 KB πŸ‘ 2 views

Molecular orbital calculations of sixfold barriers in nitromethane, methyl boron difluoride, and trifluoronitromethane were performed by various Hartree᎐Fock and electron correlation methods. In those calculations, staggered and eclipsed conformations are of primary concern. These results indicated