Nanoring interactions with bio-relevant molecule: A quantum chemical approach to C18 and B9N9 systems
A.K. Vishwkarma, Tarun Yadav, Ehsan Shakerzadeh, Shambaditya Goswami, Somenath Garai, V. Vetrivelan, Jacques Adam, Amit Pathak
Topics & Concepts
HOMO/LUMOMoleculeDensity functional theoryChemical physicsBasis setDipoleComputational chemistryElectronic structureChemistryInteraction energyMaterials scienceNanotechnologyOrganic chemistryBoron and Carbon Nanomaterials ResearchBoron Compounds in ChemistryConducting polymers and applications