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Analysis of the performance of DFT-D, M05-2X and M06-2X functionals for studying π⋯π interactions

EngineeringPhysicsNatural SciencesWeak InteractionPhysical ChemistryComputational Chemistryπ⋯π InteractionsQuantum ChemistryChemistryM06-2x FunctionalsSpectra-structure CorrelationAb-initio Method