Tetrahedron · 2013 · 53 citations · 74 references
Natural SciencesChemistryMedicinal ChemistryPhysical ChemistryQuantum ChemistryStructure-activity RelationshipsChemical BondingDensity Functional TheoryFunctional GroupsMolecular BondingMolecular Orbital TheoryPotential Energy SurfacesCanonical Molecular OrbitalsElectrophilic ReactivityLocalized Molecular OrbitalsNucleophilic ReactivityOrbital Interactions In Reaction PathwaysReactivityStructure-reactivity Relationships
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Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Note on an Approximation Treatment for Many-Electron Systems
CHR. KN. MØLLER, M. S. Plesset · Physical Review · 1934 · 14.6K citations
Density-functional theory of atoms and molecules
James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations
Natural Sciences, Chemistry, Physics +12
<b>Hard and Soft Acids and Bases</b>
Ralph G. Pearson · Journal of the American Chemical Society · 1963 · 10.2K citations