Catalysis Today · 2022 · 10 citations · 44 references
Chemical EngineeringLight AlkanesEngineeringNatural SciencesHeterogeneous CatalysisCatalysisHomogeneous CatalysisQuantum ChemistryHydrogenChemistryMolecular CatalysisCatalyst Deactivation MechanismCatalyst Activation
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 43.6K citations