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Quantum mechanical study and spectroscopic (FT-IR, FT-Raman, 13C, 1H, UV) study, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 4-[(4-aminobenzene) sulfonyl] aniline by ab initio HF and density functional method

First Order HyperpolarizabilityEngineeringNatural SciencesQuantum Mechanical StudyApplied PhysicsNbo AnalysisComputational ChemistryQuantum ChemistryChemistryMolecule-based MaterialSpectra-structure Correlation