Spectroscopic (FT-IR, FT-Raman, NBO) investigation and molecular docking study of a herbicide compound Bifenox
G. Karpagakalyaani, J. Daisy Magdaline, T. Chithambarathanu, D. Aruldhas, A. Ronaldo Anuf
Topics & Concepts
Natural bond orbitalHOMO/LUMOComputational chemistryDelocalized electronRaman spectroscopyMoleculeChemistryDensity functional theoryFragment molecular orbitalDocking (animal)Molecular orbitalPhysicsOrganic chemistryMedicineOpticsNursingNonlinear Optical Materials ResearchMolecular spectroscopy and chiralityFree Radicals and Antioxidants