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A Density Functional Theory Study on the Mechanism of the Permanganate Oxidation of Substituted Alkenes

โœ Scribed by Strassner, Th.; Busold, M.

Book ID
126438239
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
186 KB
Volume
66
Category
Article
ISSN
0022-3263

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Multiplet splittings for six excited electronic configurations of the permanganate ion, MnO;, are calculated. Earlier density functional calculations on the same subject are improved upon by the numerical evaluation of some two-electron integrals to resolve certain multideterminantal states. Excelle