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Molecular structure, vibrational spectra, first hyperpolarizability and HOMO–LUMO analysis of p-acetylbenzonitrile using quantum chemical calculation

EngineeringNatural SciencesFirst HyperpolarizabilityOrganic ChemistryQuantum Chemical CalculationQuantum ChemistryChemistryMolecular ChemistrySpectra-structure CorrelationBiomolecular Engineering