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Computational spectroscopy and DFT investigations into nitrogen and oxygen bond breaking and bond making processes in model deNOx and deN2O reactions

EngineeringPhysicsNatural SciencesChemical BondComputational SpectroscopyPhysical ChemistryComputational ChemistryQuantum ChemistryChemistryDen2o ReactionsDft InvestigationsSpectra-structure Correlation