Tetrahedron · 2013 · 12 citations · 35 references
Natural SciencesChemical EngineeringChemistryCatalysisComputational ChemistryOrganic ChemistryCatalysis ModelingCatalytic MaterialsCatalytic MechanismsCatalytic Reaction KineticsHeterogeneous CatalysisReaction Mechanism ModelingAldehydesCatalyst Structure - Activity RelationshipsCatalytic Reaction MechanismsExperimental Results InterpretationHetero Diels - Alder Reaction
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13