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Hydration of Lanthanide Chloride Salts: A Quantum Chemical and Classical Molecular Dynamics Simulation Study

Actinides Classical Simulations

Publication Details

  • Authors: C. Beuchat, R. Spezia, D. Hagberg, and L. Gagliardi
  • Publication Number: 120
  • Year: 2010
  • Journal: J. Phys. Chem. B
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Full Citation

C. Beuchat, R. Spezia, D. Hagberg, and L. Gagliardi, Hydration of Lanthanide Chloride Salts: A Quantum Chemical and Classical Molecular Dynamics Simulation Study, J. Phys. Chem. B, 2010, 114, 15590–15597. DOI: 10.1021/jp105590h