Chemical Physics Letters · 1997 · 44 citations · 24 references
Natural SciencesChemistryPhysicsMolecular PhysicsQuantum ChemistrySpectroscopyAb Initio MethodsMolecular Orbital TheoryMolecular SymmetryMolecular VibrationVibrational SpectroscopyVibrational StructureMolecular Vibrational ModesPolyatomic Molecular VibrationsRotational-vibrational StructureVibrational Band StructureVibrational CouplingVibrational ModesVibrational Structure Calculations
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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