Effect of fluorination on the adsorption properties of aromatic heterocycles toward methyl halides: A quantum chemical study
Misbah Asif, Hasnain Sajid, Naveen Kosar, Tariq Mahmood
Topics & Concepts
ChemistryNatural bond orbitalDensity functional theoryAdsorptionThiopheneFuranFluorineComputational chemistryPyrrolevan der Waals forceHOMO/LUMOPhysical chemistryInorganic chemistryOrganic chemistryMoleculeInorganic Fluorides and Related CompoundsPer- and polyfluoroalkyl substances researchAtmospheric Ozone and Climate