Quantum mechanical simulation of Molnupiravir drug interaction with Si-doped C60 fullerene
Cemal Parlak, Özgür Alver, Özge Bağlayan
Topics & Concepts
ChemistryFullereneDensity functional theoryHeteroatomAtomic orbitalAtom (system on chip)Computational chemistryHOMO/LUMODopingMolecular orbitalMoleculeChemical physicsSiliconOrganic chemistryRing (chemistry)Materials sciencePhysicsQuantum mechanicsOptoelectronicsElectronEmbedded systemComputer scienceFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials ResearchCarbon Nanotubes in Composites