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Simple and accurate correlation of experimental redox potentials and DFT-calculated HOMO/LUMO energies of polycyclic aromatic hydrocarbons

Organic Charge-transfer CompoundEngineeringNatural SciencesSpectra-structure CorrelationAccurate CorrelationOrganic ChemistryPhysical ChemistryPolycyclic Aromatic HydrocarbonsComputational ChemistryPolycyclic Aromatic HydrocarbonQuantum ChemistryChemistryDft-calculated Homo/lumo EnergiesBiophysics