Dioxygen Activation: Modeling Copper Oxygenases and Oxidases

Generating Cu(II)-Oxyl / Cu(III)-Oxo Species from Cu(I)-α-Ketocarboxylate Complexes and O2: In silico studies on ligand effects and C-H-activation reactivity

S. M. Huber, M. Z. Ertem, F. Aquilante, L. Gagliardi, W. B. Tolman, and C. J. Cramer, Chem. Eur. J., 2009, 15, 4886-4895.

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