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Quantum mechanical and spectroscopic (FT-IR, FT-Raman,1H,13C NMR, UV-Vis) studies, NBO, NLO, HOMO, LUMO and Fukui function analysis of 5-Methoxy-1H-benzo[d]imidazole-2(3H)-thione by DFT studies

Organic Charge-transfer CompoundEngineeringFukui Function AnalysisNatural SciencesSpectra-structure CorrelationOrganic ChemistryPhysical ChemistryComputational ChemistryFt-raman,1h,13c NmrChemistryQuantum ChemistryMolecule-based MaterialDft StudiesBiophysics