,

Reductive Hydrogenation of xylose to xylitol: A first principle study

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First-Principles Design on Small Cluster Catalysts for the Electrochemical NH3 Synthesis By Ligand Engineering

,

Bi-based molten metal alloy catalyst for methane decomposition reaction: a DFT study

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Machine Learning and DFT Studies on the Ru-based Sub-nanometer Clusters for Electrochemical N2 Reduction Reaction

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MXene-based Catalysts for Electrochemical Nitrogen Reduction Reaction: a density functional theory (DFT) study