Journal of Molecular Structure · 2020 · 64 citations · 50 references
Natural SciencesChemistryMaterials ScienceComputational ChemistryFunctional MaterialsCatalytic MaterialsCrystal EngineeringDensity Functional TheoryMolecular Orbital TheorySolid-phase SynthesisAlkane FunctionalizationCatalytic FunctionalizationHeterocycle FunctionalizationKetone FunctionalizationKetones
50
Robert G. Parr, László von Szentpály, Shubin Liu · Journal of the American Chemical Society · 1999 · 7.3K citations
Electronegativity: The density functional viewpoint
Robert G. Parr, Robert A. Donnelly, Mel Levy et al. · The Journal of Chemical Physics · 1978 · 3.4K citations
Natural Sciences, Chemistry, Physics +12
Role of Frontier Orbitals in Chemical Reactions
Kenichi Fukui · Science · 1982 · 2.7K citations