Molecular dynamics study of the hydration of Lanthanum(III) and Europium(III) including many-body effects

Article Abstract:

The first molecular dynamics simulation including many-body effects that account for the experimental results from a structural and dynamic point of view is presented. It is shown that molecular dynamics simulations with an accurate polarizable force field and a cluster approach would be a valuable alternative without losing information in the description of the microscopic system.

Molecular dynamics

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Time effect in chemical oxidation of La2CuO4 epitaxial thin films

Article Abstract:

A series of LCO epitaxial thin films chemically oxidized by NaClO at 40 degree C with different oxidation times ranging from 3 to 48 h are prepared. The systematical change in superconductivity of the oxidized films suggest that there exists an optimum oxidation time at which superconductivity reaches an optimum value, whereas beyond this time, superconductivity becomes inferior.

Observations, Oxidation-reduction reaction, Oxidation-reduction reactions, Chemistry, Physical and theoretical, Physical chemistry

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Synthesis, crystal structure, and modelling of a new tetramer complex of Europium

Article Abstract:

The synthesis, characterization, crystal structure, modeling, and photoluminescence properties of a new tetramer europium complex with the ethyl 4,4,4-trifluoroacetoacetate (ETA) ligand is reported.

Crystals, Crystal structure, Ligands, Ligands (Chemistry), Structure

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