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Filtering by: Creator Becker, Udo Keyword computational

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