Investigation of the adsorption of a DNA based purine derivative on N/B-doped coronene and coronene by means of DFT and NCI interaction analysis
Jamelah S. Al‐Otaibi, Y. Sheena Mary, Y. Shyma Mary, Asmita Mondal, Nivedita Acharjee, S. Balachandar
Topics & Concepts
CoroneneChemistryDensity functional theoryGibbs free energyRaman spectroscopyBinding energyMoleculeAdsorptionPhysical chemistryComputational chemistryCrystallographyAtomic physicsOrganic chemistryThermodynamicsPhysicsOpticsAdvanced biosensing and bioanalysis techniquesDNA and Nucleic Acid ChemistryMolecular Junctions and Nanostructures