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Theoretical density functional and ab initio computational study of the tautomeric, vibrational and H-bond properties of 1,7-di-CH3-guanine: a comparison with FT-IR data from matrix isolation experiments

Materials ScienceEngineeringNatural SciencesTheoretical Density FunctionalChemical BondFt-ir DataComputational ChemistryMatrix Isolation ExperimentsQuantum ChemistryChemistrySpectra-structure CorrelationAb-initio Method