Theoretical Studies on ortho-Oxidation o
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Hiroshi Naka; Yoshinori Kondo; Shinya Usui; Yuichi Hashimoto; Masanobu Uchiyama
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Article
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2007
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John Wiley and Sons
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English
β 315 KB
π 1 views
## Abstract Theoretical studies on the chemoβ and regioselective __ortho__βoxidation reaction of phenols mediated by a biomimetic (__ΞΌβΞ·__^2^:__Ξ·__^2^peroxo)dicopper(II) complex were performed using unrestricted hybrid density functional theory (UB3LYP) calculations, with the aim of providing a gui