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Unravelling the Hydration Structure of ThX4 (X = Br, Cl) Water Solutions by Molecular Dynamics Simulations and X-ray Absorption Spectroscopy

Actinides Classical Simulations Photochemistry, Spectroscopy, Dynamics

Publication Details

  • Authors: R. Spezia, C. Beuchat, R. Vuilleumier, P. D’Angelo, and L. Gagliardi
  • Publication Number: 142
  • Year: 2012
  • Journal: J. Phys. Chem. B
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Full Citation

R. Spezia, C. Beuchat, R. Vuilleumier, P. D’Angelo, and L. Gagliardi, Unravelling the Hydration Structure of ThX4 (X = Br, Cl) Water Solutions by Molecular Dynamics Simulations and X-ray Absorption Spectroscopy, J. Phys. Chem. B, 2012, 116, 6465–6475. DOI: 10.1021/jp210350b