Journal of Molecular Modeling · 2013 · 13 citations · 21 references
Natural SciencesChemistryOrganic ChemistryTheoretical ChemistryThermodynamicsChemical ThermodynamicsMolecular ThermodynamicsReaction MechanismsClaisen RearrangementMolecular Mechanisms Of RearrangementRearrangement 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
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