Molecular Dynamics Study of the Hydration of Lanthanum(III) and Europium(III) Including Many-Body Effects
Author:
Affiliation:
1. Theoretical Chemistry Laboratory, DSM/DRECAM/SPAM-LFP (CEA-CNRS URA2453), CEA/SACLAY, Bat.522, 91191 GIF SUR YVETTE, France
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp051032h
Reference18 articles.
1. Water exchange on metal ions: experiments and simulations
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3. Molecular Dynamics Simulation Study of Lanthanide Ions Ln3+ in Aqueous Solution Including Water Polarization. Change in Coordination Number from 9 to 8 along the Series
4. Modeling Complexes of the Uranyl Ion UO2L2n+: Binding Energies, Geometries, and Bonding Analysis
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