Litcius/Paper detail

Quantum mechanical computation, spectroscopic exploration and molecular docking analysis of 2-Bromo-4-fluoroacetanilide

K. Arulaabaranam, S. Muthu, G. Mani, S. Sevvanthi

2020Journal of Molecular Structure12 citationsDOI

Topics & Concepts

HyperpolarizabilityChemistryNatural bond orbitalHOMO/LUMODensity functional theoryDelocalized electronComputational chemistryBasis setMoleculeAb initioElectrophileMolecular vibrationFukui functionMolecular physicsPhysical chemistryOrganic chemistryPolarizabilityCatalysisNonlinear Optical Materials ResearchSynthesis and biological activityFree Radicals and Antioxidants
Quantum mechanical computation, spectroscopic exploration and molecular docking analysis of 2-Bromo-4-fluoroacetanilide | Litcius