Evaluating the detection potential of C59X fullerenes (X = C, Si, Ge, B, Al, Ga, N, P, and As) for H2SiCl2 molecule
Mohsen Doust Mohammadi, Hewa Y. Abdullah, Hitler Louis, Emmanuel E. Etim, Henry O. Edet
Topics & Concepts
NanocagesNatural bond orbitalvan der Waals forceFullereneAtoms in moleculesDensity functional theoryMoleculeCovalent bondIntermolecular forceChemistryChemical physicsAdsorptionComputational chemistryNanotechnologyMaterials sciencePhysical chemistryOrganic chemistryCatalysisBoron and Carbon Nanomaterials ResearchFullerene Chemistry and ApplicationsAdvanced Chemical Physics Studies