Electronic and chelation effects on the
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Jongtaek Kim; Eunjung Yoo; Sukbok Chang; Yoon Sup Lee
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Article
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2011
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John Wiley and Sons
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English
β 830 KB
## Abstract Density functional theory calculations with the B3LYP functional were performed for the title ringβopening reaction to understand the intrinsic activating and directing effects of the __N__βsubstituents, as well as the electron donating effect of the paraβsubstituted (Y = Cl, H, Me) phe