Journal of Molecular Structure · 2024 · 10 citations · 40 references
Natural SciencesChemistryMedicinal ChemistryOrganic ChemistryQuantum ChemistrySpectroscopyInfrared SpectroscopyLigand BindingLigand-based DesignMolecular DockingProtein-ligand DockingStructure-activity Relationship AnalysisAzone AnaloguesLigand PreparationMolecular Docking ValidationQuantum Chemical DescriptorsQuantum Chemical Modeling
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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
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