Solvation model, Vibrational analysis, Electronic level, Non-Covalent interactions and Molecular docking investigations of 6-Chloro-2-(4-Aminophenyl)-1H-Benzimidazole
G.S. Fasiuddin, A. Aathif Basha, Attar Kubaib, Mohammad Azam, P. Muzammil, Bouzid Gassoumi, Sahbi Ayachi, F. Liakath Ali Khan, Predhanekar Mohamed Imran, Saud I. Al‐Resayes
Topics & Concepts
Natural bond orbitalChemistryHOMO/LUMODensity functional theorySolvationComputational chemistryProton NMRBenzimidazoleDocking (animal)Molecular orbitalCarbon-13 NMRPhysical chemistryStereochemistryMoleculeOrganic chemistryNursingMedicineNonlinear Optical Materials ResearchSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds