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