## Abstract __Ab initio__ molecular‐orbital theory with the STO‐3G and 4‐31 G basis sets has been used to study the 1,3‐sigmatropic hydrogen rearrangements: propene→propene, formic acid→formic acid, and vinyl alcohol→acetaldehyde, and the1,5‐shifts:1,3‐pentadiene→ 1,3‐pentadiene and β‐hydroxyacrole
Ab initio molecular orbital studies of closed shell flavins
✍ Scribed by R. J. Platenkamp; M. H. Palmer; A. J. W. G. Visser
- Publisher
- Springer
- Year
- 1987
- Tongue
- English
- Weight
- 911 KB
- Volume
- 14
- Category
- Article
- ISSN
- 1432-1017
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