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Adsorption of alprazolam drug on the B12N12 and Al12N12 nano-cages for biological applications: A DFT study

Sadegh Kaviani, Siyamak Shаhаb, Masoome Sheikhi

2020Physica E Low-dimensional Systems and Nanostructures70 citationsDOI

Topics & Concepts

Natural bond orbitalChemistryDensity functional theoryCovalent bondHydrogen bondComputational chemistryMolecular dynamicsAtoms in moleculesMoleculePhysical chemistryOrganic chemistryBoron and Carbon Nanomaterials ResearchFullerene Chemistry and ApplicationsBoron Compounds in Chemistry
Adsorption of alprazolam drug on the B12N12 and Al12N12 nano-cages for biological applications: A DFT study | Litcius