A molecular orbital study of the rotation about the C-C bond in 1,3-butadiene
β Scribed by Charles W. Bock; Philip George; Mendel Trachtman
- Publisher
- Springer
- Year
- 1984
- Tongue
- English
- Weight
- 898 KB
- Volume
- 64
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
A b initio Hartree-Fock calculations at the 6-31G\*//6-31G\* and MP3/6-31G\*//6-31G\* levels of theory are reported for propylamine. All ten stationary points needed in a description of the rotation around the C1-C2 bond have been located on the 6-31G\* surface and each of these points has been exam
Barriers to rotation about the preferred axis, C-4-Hg-C-4, were determined for diphenyl-, bis(o-toly1)-and bis(m-toly1)-mercury from 13C T , relaxation times as a function of temperature in DMSO and in 1,1,2,2-tetrachloroethane-CCt,. Based on results for the unsymmetrical compound phenyl(o-tolyl)mer