A DFT study on the effect of Au-decoration on the interaction of adrucil drug with BC2N nanotubes in the gas phase and aqueous solution

Jinhua Jiang, Tinghua Yan, Dan Cui, Jun Wang, Jialin Shen, Fang Guo, Yuan Lin

2020Journal of Molecular Liquids22 citationsDOI

Topics & Concepts

Aqueous solutionDensity functional theoryDrugDesorptionMaterials scienceDopingNanotechnologyComputational chemistryChemical physicsChemical engineeringChemistryPharmacologyPhysical chemistryMedicineOptoelectronicsAdsorptionEngineeringBoron and Carbon Nanomaterials ResearchMXene and MAX Phase MaterialsBoron Compounds in Chemistry