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DFT and CASPT2 Analysis of Polymetallic Uranium Nitride and Oxide Complexes: How Theory Can Help When X-Ray Analysis Is Inadequate

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Publication Details

  • Authors: T. K. Todorova, L. Gagliardi, J. R. Walensky, K. A. Miller, and W. J. Evans
  • Publication Number: 115
  • Year: 2010
  • Journal: J. Am. Chem. Soc.
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Full Citation

T. K. Todorova, L. Gagliardi, J. R. Walensky, K. A. Miller, and W. J. Evans, DFT and CASPT2 Analysis of Polymetallic Uranium Nitride and Oxide Complexes: How Theory Can Help When X-Ray Analysis Is Inadequate, J. Am. Chem. Soc., 2010, 132, 12397–12403. DOI: 10.1021/ja103588w