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Quantum Chemical Characterization of the Mechanism of an Iron-based Water Oxidation Catalyst

Catalysis Electronic Structure - Modeling Properties

Publication Details

  • Authors: M. Z. Ertem, L. Gagliardi, and C. J. Cramer
  • Publication Number: 141
  • Year: 2012
  • Journal: Chem. Sci.
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Full Citation

M. Z. Ertem, L. Gagliardi, and C. J. Cramer, Quantum Chemical Characterization of the Mechanism of an Iron-based Water Oxidation Catalyst, Chem. Sci., 2012, 3, 1293–1299. DOI: 10.1039/C2SC01030E