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Potential Energy SurfacesDensity Functional TheoryExperimental DataMultireference Configuration InteractionActivation ParametersElectron TransferAqueous SolutionPotential Energy SurfaceAdsorption IsothermsOxygen Reduction ReactionMultiple Linear RegressionQuantitative Structure-Activity RelationshipPerturbation TheoryDavidson CorrectionConformational PreferenceHammett ConstantsCeric Ammonium NitrateIntraparticle DiffusionBilirubin OxidasePhosphate Buffer Solution