Design, molecular docking analysis of an anti-inflammatory drug, computational analysis and intermolecular interactions energy studies of 1-benzothiophene-2-carboxylic acid
Abir Sagaama, Noureddine Issaoui
Topics & Concepts
Natural bond orbitalChemistryComputational chemistryHOMO/LUMOHydrogen bondMoleculeMolecular orbitalDelocalized electronChemical shiftDimerDensity functional theoryIntermolecular forceBasis setPhysical chemistryOrganic chemistryNonlinear Optical Materials ResearchSynthesis and biological activityChemical synthesis and pharmacological studies