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Crystal structure, MEP/DFT/XRD, thione ⇔ thiol tautomerization, thermal, docking, and optical/TD-DFT studies of (E)-methyl 2-(1-phenylethylidene)-hydrazinecarbodithioate ligand

Ahmed Boshaala, Musa A. Said, Eman Assirey, Zainab S. Alborki, Abeer A. AlObaid, A. Zarrouk, Ismail Warad

2021Journal of Molecular Structure24 citationsDOI

Topics & Concepts

ChemistryTautomerMulliken population analysisCrystal structureCrystallographyLigand (biochemistry)HOMO/LUMODocking (animal)Natural bond orbitalThiolMoleculeIntermolecular forceComputational chemistryPopulationDensity functional theoryStereochemistryOrganic chemistrySociologyMedicineReceptorNursingBiochemistryDemographyCrystal structures of chemical compoundsOrganometallic Compounds Synthesis and CharacterizationMetal complexes synthesis and properties
Crystal structure, MEP/DFT/XRD, thione ⇔ thiol tautomerization, thermal, docking, and optical/TD-DFT studies of (E)-methyl 2-(1-phenylethylidene)-hydrazinecarbodithioate ligand | Litcius