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Statistical phase evaluation approach for defect phase diagrams
This is the data file associated with the publication: Statistical phase evaluation approach for defect phase diagrams, Physical Review B, 111, 054117, 2025. The Jupyter... -
Comparative analysis of surface phase diagrams in aqueous environment: implic...
This dataset contains relevant data for the paper "Comparative analysis of surface phase diagrams in aqueous environment: implicit vs explicit solvation models" (J. Chem. Phys....
