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Toward high-level theoretical studies on the reaction kinetics of PAHs growth based on HACA pathway: An ONIOM[G3(MP2,CC)//B3LYP:DFT] method developed

EngineeringBiochemistryReaction ProcessNatural SciencesEnzyme CatalysisPahs GrowthReaction KineticsOrganic ChemistryReactivity (Chemistry)Reaction IntermediateChemistryStructure-function Enzyme KineticsChemical KineticsHaca PathwayBiomolecular Engineering