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Natural SciencesChemistryMaterials ScienceComputational ChemistryMaterials ChemistryPhysical ChemistryChemical BondingDensity Functional TheoryIntermolecular ForcesMolecular BondingMolecular InteractionsMolecular Orbital TheoryDensity Functional Perturbation TheoryDensity Functional Theory Of BondingIonic BondingIonic LiquidsIonic Liquids ModelingThermodynamics Of Ionic Solids
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Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Atoms in Molecules — a Quantum Theory
W.J. Orville-Thomas · Journal of Molecular Structure THEOCHEM · 1996 · 2.9K citations
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