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Quantum chemical modelling of the heterogeneous electron transfer: from qualitative analysis to a polarization curve

EngineeringQuantum Chemical ModellingPhysicsQualitative AnalysisNatural SciencesElectronic StructureApplied PhysicsProton-coupled Electron TransferAtomic PhysicsPhysical ChemistryComputational ChemistryPolarization CurveQuantum ChemistryChemistryCharge Carrier TransportCharge Transport