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Ab initio and density functional computations of the vibrational spectrum, molecular geometry and some molecular properties of the antidepressant drug sertraline (Zoloft) hydrochloride

Medicinal ChemistryDensity Functional ComputationsNatural SciencesAb InitioComputational ChemistryAntidepressant Drug SertralineQuantum ChemistryChemistryMolecular ChemistryPharmacologySpectra-structure Correlation