A molecular orbital study of the conformation of barbiturates
β Scribed by B. Pullman; J.L. Coubeils; Ph. Courrare
- Publisher
- Elsevier Science
- Year
- 1972
- Tongue
- English
- Weight
- 516 KB
- Volume
- 35
- Category
- Article
- ISSN
- 0022-5193
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π SIMILAR VOLUMES
study of peroxyacetic acid has been performed using both STO-3G and PCLO moIecuk orbital r&hods. The tot&y planar, cis conformer is obtained by both methods and is consistent with X-ray, infrwed;and dipole moment results. : '.(.VOlu&. 32, number z
The conformational characteristics of allylamine were investigated by the ab initio STO-~G basis set. The results indicate that the molecule exists in a number of stable conformations through rotations about the CC-NH and CC-CN bonds. The TE ( &u~-CCNLP, LP representing lone-pair electrons, and ecli