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Theoretical Characterization of End-On and Side-On Peroxide Coordination in Ligated Cu2O2 Models

Electronic Structure - Modeling Properties

Publication Details

  • Authors: C.J. Cramer, A. Kinal, M. Wloch, P. Piecuch, and L. Gagliardi
  • Publication Number: 65
  • Year: 2006
  • Journal: J. Phys. Chem. A
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Full Citation

C.J. Cramer, A. Kinal, M. Wloch, P. Piecuch, and L. Gagliardi, Theoretical Characterization of End-On and Side-On Peroxide Coordination in Ligated Cu2O2 Models, J. Phys. Chem. A, 2006, 110, 11557–11568. DOI: 10.1021/jp064232h