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Molecular Modeling of Adsorbed NDMA in MFI Zeolites
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Iridium-based bimetallic alloy catalysts for the ethanol oxidation reaction for fuel cells modeled by density functional theory
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Simulation of the diffusion of endocrine disrupting compounds in silicalite by molecular dynamics
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Developing Viable Catalysts for Ethanol Oxidation Using Electronic Structure Calculations
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Atomistic Modeling of Key Factors in Catalytic Ethanol Oxidation
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Effect of Defects and Photoexcited Electrons on CO2 Reduction using Supported Single Atom Catalysts
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Conversion of Carbon Dioxide to Fuels using Dispersed Atomic-Size Catalysts
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Catalysis and Photocatalysis over TiO2 Surfaces Detailed from First Principles
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