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Epoxidation of unfunctionalized olefins by Mn(salen) catalyst using organic peracids as oxygen source: A theoretical study

The mechanism and origin of asymmetric induction in the Mn(III)(salen)-catalyzed epoxidation by peracetic acid have been elucidated by the density functional [Becke three-parameter hybrid functional combined with Lee–Yang–Parr correlation functional (B3LYP)] method in two different regimes: with and...

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Библиографические подробности
Главные авторы: Khavrutskii, Ilja V., Musaev, Djamaladdin G., Morokuma, Keiji
Формат: Artigo
Язык:Inglês
Опубликовано: National Academy of Sciences 2004
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Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC395978/
https://ncbi.nlm.nih.gov/pubmed/15069195
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0307082101
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