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Effects of charge, dopant, and H saturation on the hydrogen evolution activity of Au25-based thiolate-protected nanoclusters
Computational Criteria for Hydrogen Evolution Activity on Ligand-Protected Au25-based Nanoclusters
Reconciling the Experimental and Computational Hydrogen Evolution Activities of Pt(111) through DFT-Based Constrained MD Simulations: Machine-readable geometries (.xyz) of all optimized NEB stationary states
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