Non-covalent interactions of cysteine onto C60, C59Si, and C59Ge: a DFT study
Mohsen Doust Mohammadi, Hewa Y. Abdullah
Topics & Concepts
NanocagesDensity functional theoryComputational chemistryIntermolecular forceMoleculeFullereneHOMO/LUMONatural bond orbitalChemical physicsChemistryAdsorptionMaterials scienceCovalent bondNon-covalent interactionsPhysical chemistryOrganic chemistryHydrogen bondCatalysisFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials ResearchGraphene research and applications