A DFT and ONIOM study of C–H hydroxylation catalyzed by nitrobenzene 1,2-dioxygenase

“A DFT and ONIOM study of C–H hydroxylation catalyzed by nitrobenzene 1,2-dioxygenase” Inacrist Geronimo, Piotr Paneth, PCCP 16, 13889-13899 (2014)

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