Catalysis Science & Technology · 2017 · 115 citations · 46 references
Natural SciencesChemical EngineeringChemistryCatalysisMultiscale ModelingReaction EngineeringCatalysis ModelingCatalyst DesignCatalytic MaterialsCatalytic Reaction EngineeringCatalytic Reaction KineticsSupported CatalystsCatalyst OptimizationFirst-principles ModelingMethanol Synthesis CatalysisMethanol Synthesis From Carbon DioxideReaction Engineering Of Catalytic Reactors
Multi-scale modelling of various copper-based catalysts showed how and why different catalysts perform in methanol synthesis <italic>via</italic> carbon dioxide hydrogenation.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16