Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 82 citations · 52 references
Natural SciencesChemistryPhysicsMolecular PhysicsOrganic ChemistryQuantum ChemistryAb Initio MethodsChemical BondingComputational Quantum ChemistryElectron Transfer ReactionsOrganic Electronic MaterialsOrganic SemiconductorsQuantum Chemical Bond AnalysisQuantum Chemical DescriptorsQuantum Chemical ModelingQuantum Chemical Property EstimationQuantum Mechanics Solvation
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A new mixing of Hartree–Fock and local density-functional theories
Axel D. Becke · The Journal of Chemical Physics · 1993 · 16.4K citations
Natural Sciences, Chemistry, Physics +11