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An Infrared Spectrophotometric Study of Vitreous Selenium Doped with Selenium Dioxide

โœ Scribed by R. A. Burley

Publisher
John Wiley and Sons
Year
1968
Tongue
English
Weight
479 KB
Volume
29
Category
Article
ISSN
0370-1972

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โœ Choon Sup Ra; Gyoosoon Park ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› Elsevier Science ๐ŸŒ French โš– 266 KB

The mechanism of the allylic oxidation of 2-methyl-2-butene with selenium dioxide has been investigated by ab initio quantum mechanics. Transition states for two major steps (an ene reaction and a [2,3]-sigmatropic rearrangement) of this reaction have been optimized by the B3LYP/6-311+G(d,p) method.