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Stereoelectronic Effects on Molecular Geometries and State-Energy Splittings of Ligated Monocopper Dioxygen Complexes

Electronic Structure - Modeling Properties

Publication Details

  • Authors: C.J. Cramer, J.R. Gour, A. Kinal, M. Wloch, P. Piecuch, A. Rehaman Moughal Shahi, and L. Gagliardi
  • Publication Number: 85
  • Year: 2008
  • Journal: J. Phys. Chem. A
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Full Citation

C.J. Cramer, J.R. Gour, A. Kinal, M. Wloch, P. Piecuch, A. Rehaman Moughal Shahi, and L. Gagliardi, Stereoelectronic Effects on Molecular Geometries and State-Energy Splittings of Ligated Monocopper Dioxygen Complexes, J. Phys. Chem. A, 2008, 112, 3754–3767. DOI: 10.1021/jp800627e