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Uranyl-peroxide Nanocapsules in Aqueous Solution: Force Field Development and First Application

Actinides Classical Simulations

Publication Details

  • Authors: P. Miró, B. Vlaisavljevich, A. Dzubak, S. Hu., P. C. Burns, C. J. Cramer, R. Spezia, and L. Gagliardi
  • Publication Number: 191
  • Year: 2014
  • Journal: J. Phys. Chem. C
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Full Citation

P. Miró, B. Vlaisavljevich, A. Dzubak, S. Hu., P. C. Burns, C. J. Cramer, R. Spezia, and L. Gagliardi, Uranyl-peroxide Nanocapsules in Aqueous Solution: Force Field Development and First Application, J. Phys. Chem. C, 2014, 118, 24730–24740. DOI: 10.1021/jp504147s