Synthesis, Spectroscopic, DFT Study, and Molecular Modeling of Thiophene-Carbonitrile Against Enoyl-ACP Reductase Receptor
Tabe N. Ntui, Emmanuella E. Oyo-Ita, John A. Agwupuye, Innocent Benjamin, Ishegbe J. Eko, Emmanuel I. Ubana, Kokolo M. Etiowo, Emereze C. Eluwa, Anna Imojara
Topics & Concepts
Natural bond orbitalChemistryDensity functional theoryHOMO/LUMOMolecular orbitalComputational chemistryMoleculeThiopheneIntermolecular forceStereochemistryOrganic chemistryNonlinear Optical Materials ResearchComputational Drug Discovery MethodsSynthesis and biological activity