Adsorption of Pyrimidin-2-amine (PA) on Graphene Quantum Dots (GQDs): Non-covalent Interaction Study
Zakir Ullah, Hyun Jee Kim, Y. Sheena Mary, Xuan Zhan, Hyung Wook Kwon
Topics & Concepts
Density functional theoryGrapheneMoleculeAdsorptionIntermolecular forceComputational chemistryChemistryAtoms in moleculesInteraction energyMolecular orbitalHydrogen bondPhysical chemistryChemical physicsMaterials scienceNanotechnologyOrganic chemistryGraphene research and applicationsNanomaterials for catalytic reactionsBoron and Carbon Nanomaterials Research