Spectroscopic and molecular structure investigation of Propachlor herbicide: A combined experimental and theoretical study
N. Suma, D. Aruldhas, I. Hubert Joe, B.S. Arun Sasi, A. Ronaldo Anuf, G.P. Sheeja Mol, S. Balachandran, Jesby George
Topics & Concepts
ChemistryNatural bond orbitalDihedral angleHOMO/LUMOComputational chemistryHydrogen bondMolecular dynamicsMoleculeIntermolecular forceConformational isomerismMolecular vibrationChemical physicsRaman spectroscopyDensity functional theoryOrganic chemistryPhysicsOpticsNonlinear Optical Materials ResearchFree Radicals and AntioxidantsMetal complexes synthesis and properties