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Keyword [DFT computations]
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1. Synthesis And Characterization Of The Multinuclear Alkali Metal Complexes Of A Triphenylene-based Hexamine
2. Theoretical Investigation On The 2D GeP3-based Nanocatalysts For Hydrogen Evolution Reaction And The Correlative Catalytic Mechanism
3. Ionic Liquids-catalyzed Reductive Functionalization Of Carbon Dioxide With Amines
4. Theoretical Investigations On The New And Nonprecious HER Catalysts Based On The Layered SnP3 Nanosystems And The Correlative Catalytic Mechanisms
5. Computational, photoelectron spectroscopic, and electrochemical studies of the electronic structures in hydrogenase-inspired molecules
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