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Ab initio study of [2,3] sigmatropic rearrangement of allylic nitroxides and sulfoxides

✍ Scribed by Branko S. Jursic

Book ID
113258759
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
610 KB
Volume
358
Category
Article
ISSN
0166-1280

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## 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

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