DFT study of 6-amino-3-(1-hydroxyethyl) pyridine-2,4-diol (AHP) adsorption on Coronene
Zakir Ullah, Hyun Jee Kim, Sooin Jang, Y. Sheena Mary, Hyung Wook Kwon
Topics & Concepts
CoroneneChemistryDensity functional theoryPyridinePhysical chemistryNatural bond orbitalGibbs free energyAdsorptionElectron acceptorInteraction energyComputational chemistryOrganic chemistryMoleculeThermodynamicsPhysicsCarbon and Quantum Dots ApplicationsSynthesis and Properties of Aromatic CompoundsQuantum Dots Synthesis And Properties