Olympicene as a high-performance sensor for lung irritants: A dispersion corrected DFT insight
Uroosa Sohail, Faizan Ullah, Tariq Mahmood, Khurshid Ayub
Topics & Concepts
Natural bond orbitalMaterials scienceCovalent bondHOMO/LUMOChemical physicsDensity functional theoryComputational chemistryChemistryMoleculeOrganic chemistryEnergetic Materials and CombustionCrystallography and molecular interactionsBoron and Carbon Nanomaterials Research