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The Coordination of Uranyl in Water:  A Combined Quantum Chemical and Molecular Simulation Study

Actinides Classical Simulations Electronic Structure - Modeling Properties

Publication Details

  • Authors: D. Hagberg, G. Karlström, B.O. Roos, and L. Gagliardi
  • Publication Number: 53
  • Year: 2005
  • Journal: J. Am. Chem. Soc.
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Full Citation

D. Hagberg, G. Karlström, B.O. Roos, and L. Gagliardi, The Coordination of Uranyl in Water:  A Combined Quantum Chemical and Molecular Simulation Study, J. Am. Chem. Soc., 2005, 127, 14250–14256. DOI: 10.1021/ja0526719