Sensing behaviour of monocyclic C18 and B9N9 analogues toward chemical warfare agents (CWAs); quantum chemical approach
Hasnain Sajid, Khurshid Ayub, Tariq Mahmood
Topics & Concepts
Density functional theoryNatural bond orbitalAdsorptionMoleculeHOMO/LUMOFormaldehydeComputational chemistryPhotochemistryMaterials scienceAtoms in moleculesChemistryPhysical chemistryChemical physicsOrganic chemistryEnergetic Materials and CombustionBoron and Carbon Nanomaterials ResearchLuminescence and Fluorescent Materials