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Natural SciencesChemistryComputational ChemistryOrganic ChemistryQuantum ChemistryIntermolecular InteractionsMolecular BondingMolecular DescriptorsMolecular Orbital TheoryMolecular Property PredictionStructure-property Relationships3D Molecular DescriptorsChemical Bond OrderCovalent Bond-order ModelsDensity Descriptor SelectionQuantum Chemical Descriptors
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Density-functional thermochemistry. III. The role of exact exchange
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Multiwfn: A multifunctional wavefunction analyzer
Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations
Density-functional theory of atoms and molecules
James D. Patterson · Annals of Nuclear Energy · 1989 · 12.6K citations
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