Benzannelation Effect on Enediyne Cycloaromatization: An ab Initio Molecular Orbital Study
β Scribed by Koseki, Shiro; Fujimura, Yuichi; Hirama, Masahiro
- Book ID
- 126167317
- Publisher
- American Chemical Society
- Year
- 1999
- Tongue
- English
- Weight
- 95 KB
- Volume
- 103
- Category
- Article
- ISSN
- 1089-5639
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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