Synthesis, solvent-solute interactions (polar and non-polar), spectroscopic insights, topological aspects, Fukui functions, molecular docking, ADME, and donor-acceptor investigations of 2-(trifluoromethyl)benzimidazole: A promising candidate for antitumor pharmacotherapy
A. Ram Kumar, S. Selvaraj, G.P. Sheeja Mol, Manickam Selvaraj, L. Ilavarasan, Sarvesh Kumar Pandey, P. Jayaprakash, Shikha Awasthi, Omeer Albormani, A. Ravi
Topics & Concepts
Natural bond orbitalChemistryHOMO/LUMODensity functional theoryMolecular orbitalComputational chemistryADMEMulliken population analysisFragment molecular orbitalMoleculeOrganic chemistryIn vitroBiochemistryNonlinear Optical Materials ResearchSynthesis and biological activityMetal complexes synthesis and properties