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Structural and spectroscopic characterization of a novel potential chemotherapeutic agent 3-(1-adamantyl)-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-4-methyl-1H-1,2,4-triazole-5(4H)-thione by first principle calculations

Medicinal ChemistryHeterocyclicBiochemistrySpectroscopic CharacterizationNatural SciencesFirst Principle CalculationsOrganic ChemistryChemistryHeterocycle ChemistryPharmacologyPharmaceutical Chemistry