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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

2023Journal of Molecular Liquids31 citationsDOI

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
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 | Litcius