DFT, Molecular Docking and Drug-likeness Analysis: Acrylate molecule bearing perfluorinated pendant unit
Uğur Soykan, Yusuf Sert, G. Yıldırım
Topics & Concepts
ChemistryMoleculeHOMO/LUMODensity functional theoryComputational chemistryMolecular geometryMolecular orbitalLone pairElectrophileMolecular dynamicsOrganic chemistryCatalysisNonlinear Optical Materials ResearchMetal complexes synthesis and propertiesSynthesis and biological activity