Ngn (Ng= Ne, Ar, Kr, Xe, and Rn; n=1, 2) encapsulated porphyrin-like porous C24N24 fullerene: A quantum chemical study
Hadi Parsa, Ehsan Shakerzadeh, Ernesto Chigo Anota
Topics & Concepts
ChemistryDissociation (chemistry)FullereneCovalent bondDimerCage effectDensity functional theoryAtom (system on chip)Kinetic energyBond-dissociation energyCageComputational chemistryPhysical chemistryPhotochemistryPhotodissociationOrganic chemistryPhysicsEmbedded systemCombinatoricsQuantum mechanicsComputer scienceMathematicsFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials ResearchAdvanced Chemical Physics Studies