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Vibrational spectroscopic study and NBO analysis on bis(4-amino-5-mercapto-1,2,4-triazol-3-yl) methane using DFT method

Chemical EngineeringMolecular SpectroscopyEngineeringNatural SciencesDft MethodNbo AnalysisPhysical ChemistryOrganic ChemistryComputational ChemistryVibrational Spectroscopic StudyChemistryQuantum ChemistrySpectra-structure Correlation