Computational and Theoretical Chemistry · 2013 · 10 citations · 29 references
Natural SciencesChemical EngineeringChemistryComputational ChemistryCoordination ChemistryMolecular Orbital TheoryReaction Mechanism ModelingC - H Bond FunctionalizationC-h Bond ActivationChemical ActivationGas Phase OxidationGas-phase Reactions
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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