Sensing behavior of pristine and doped C70 fullerenes to mercaptopurine drug: a DFT/TDDFT investigation
Yu‐Ping Yang, Aili Sun, Wei Gu
Topics & Concepts
HOMO/LUMOFullereneDensity functional theoryChemistryWork functionAdsorptionDopingTime-dependent density functional theoryComputational chemistryChemical physicsPhysical chemistryOrganic chemistryMoleculeMaterials scienceElectrodeOptoelectronicsFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials ResearchGraphene research and applications