DFT of 5-Fluoro-2-Oxo-1H-Pyrazine-3-Carboxamide (OPC) Adsorption, Spectroscopic, Solvent Effect, and SERS Analysis
Zakir Ullah, Bilal Mustafa, Hyun Jee Kim, Y. Sheena Mary, Y. Shyma Mary, Hyung Wook Kwon
Topics & Concepts
NanocagesPyrazineAdsorptionChemistryDensity functional theoryPhysisorptionComputational chemistryFullereneNatural bond orbitalElectrophileBand gapPhysical chemistryMaterials scienceStereochemistryOrganic chemistryCatalysisOptoelectronicsMolecular Junctions and NanostructuresFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials Research