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A theoretical investigation on the mercaptopurine drug interaction with boron nitride nanocage: Solvent and density functional effect

Yang Yu, Narges Ostadhosseini

2020Physica E Low-dimensional Systems and Nanostructures38 citationsDOI

Topics & Concepts

NanocagesPhysisorptionDensity functional theoryBoron nitrideAdsorptionChemistryFermi levelDensity of statesMaterials scienceComputational chemistryPhysical chemistryNanotechnologyOrganic chemistryPhysicsCatalysisCondensed matter physicsElectronQuantum mechanicsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research2D Materials and Applications
A theoretical investigation on the mercaptopurine drug interaction with boron nitride nanocage: Solvent and density functional effect | Litcius