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Study of gas-phase O–H bond dissociation enthalpies and ionization potentials of substituted phenols – Applicability of ab initio and DFT/B3LYP methods

Chemical EngineeringEngineeringSubstituted PhenolsNatural SciencesChemical BondAb InitioOrganic ChemistryComputational ChemistryQuantum ChemistryChemistryDft/b3lyp MethodsChemical ThermodynamicsAb-initio Method