Computational study of 3-thiophene acetic acid: Molecular docking, electronic and intermolecular interactions investigations
Takoua Ben Issa, Abir Sagaama, Noureddine Issaoui
Topics & Concepts
Natural bond orbitalChemistryHOMO/LUMODensity functional theoryComputational chemistryMolecular orbitalIntermolecular forceMoleculeOrganic chemistryStructural and Chemical Analysis of Organic and Inorganic CompoundsSynthesis and Biological EvaluationChemical Reaction Mechanisms