Mechanisms for Hydrogen-Atom Abstraction by Mononuclear Copper(III) Cores: Hydrogen-Atom Transfer or Concerted Proton-Coupled Electron Transfer?

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Mandal, Mukunda [1 ]
Elwell, Courtney E. [1 ]
Bouchey, Caitlin J. [1 ,2 ]
Zerk, Timothy J. [2 ]
Tolman, William B. [2 ]
Cramer, Christopher J. [1 ]
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[1] Department of Chemistry, Minnesota Supercomputing Institute, Chemical Theory Center, Center for Metals in Biocatalysis, University of Minnesota, 207 Pleasant Street SE, Minneapolis,MN,55455, United States
[2] Department of Chemistry, Washington University in St. Louis, One Brookings Drive, Campus Box 1134, St. Louis,MO,63130, United States
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页码:17236 / 17244
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