Quantum computational, spectroscopic and molecular docking investigations on 4-Acetylamino-benzoic acid methyl ester: A prospective anticancer drug
M. Habib Rahuman, S. Muthu, BR. Raajaraman, M. Raja
Topics & Concepts
Natural bond orbitalChemistryHOMO/LUMOMoleculeBenzoic acidComputational chemistryDelocalized electronDensity functional theoryDocking (animal)Carbon-13 NMRFukui functionStereochemistryOrganic chemistryNursingCatalysisElectrophileMedicineNonlinear Optical Materials ResearchSynthesis and biological activityMetal complexes synthesis and properties