Journal of Molecular Modeling · 2015 · 39 citations · 17 references
Natural SciencesChemistryPhysicsOrganic ChemistryPhysical ChemistryTheoretical ChemistryAb Initio MethodsDensity Functional TheoryElectronic StructureFunctional GroupsHartree-fock TheoryMolecular Orbital TheoryAzide FunctionalizationExchange-correlation FunctionalsFunctional Group AnalysisGeneralized Gradient ApproximationMultireference Density Functional Theory
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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