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Filtering by: Creator Becker, Udo Keyword molecular model

Electrochemical/computational analysis and the derivation of Pourbaix diagrams of redox-active structural and adsorbed species in uranyl peroxide clusters (U60)

Creator:

Gebarski, Benjamin B. and Becker, Udo

Description:

Files are uploaded as text or crystallographic information files (.cif), the standard text file format for representing crystallographic information. These files contain the results for cyclic voltammetry, x-ray absorption spectroscopy, and optimized molecular models for uranium-60 nanocluster (U60) fragments, UO2 complexes, and adsorbates.

Keyword:

uranium, U60, electrochemistry, computational, molecular model, and adsorption

Citation to related publication:

Electrochemical and computational analysis of the thermodynamics of oxidation/reduction reactions of uranyl peroxide clusters (U60), and the derivation of Pourbaix diagrams for structural and adsorbed species. In process.

Discipline:

Science
Quantum-Mechanical Determination of the Incorporation of Pentavalent Plutonium into Carbonate and Sulfate Minerals

Creator:

Gebarski, Benjamin B. and Becker, Udo

Description:

Files are uploaded as crystallographic information files (.cif), the standard text file format for representing crystallographic information. These files contain the optimized molecular models for pentavalent plutonium incorporation reactions into/onto barite, anglesite, celestine, anhydrite, aragonite, and calcite host minerals.

Keyword:

actinide, quantum mechanics, molecular model, plutonium, incorporation, surface, radioactive, contamination, and nuclear waste

Citation to related publication:

Gebarski, B. B. and Becker, U. Quantum-Mechanical Determination of the Incorporation of Pentavalent Plutonium into Carbonate and Sulfate Minerals. (2019) Geochimica et Cosmochimica Acta. https://doi.org/10.1016/j.gca.2019.10.015

Discipline:

Science

Electrochemical/computational analysis and the derivation of Pourbaix diagrams of redox-active structural and adsorbed species in uranyl peroxide clusters (U60)

Quantum-Mechanical Determination of the Incorporation of Pentavalent Plutonium into Carbonate and Sulfate Minerals

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Electrochemical/computational analysis and the derivation of Pourbaix diagrams of redox-active structural and adsorbed species in uranyl peroxide clusters (U60)

Quantum-Mechanical Determination of the Incorporation of Pentavalent Plutonium into Carbonate and Sulfate Minerals

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