Insighting the functionally modified C60 fullerenes as an efficient nonlinear optical materials: A quantum chemical study
Shabbir Muhammad, Shafiq urRehman, Fatima Sarwar, Shamsa Bibi, Raziya Nadeem, Muhammad Waheed Mushtaq, Abdullah G. Al‐Sehemi, Saleh S. Alarfaji, Sajjad Hussain
Topics & Concepts
PolarizabilityDensity functional theoryMaterials scienceFullereneMolecular orbitalComputational chemistryBasis setHOMO/LUMOHybrid functionalChemical physicsAtomic orbitalIntramolecular forceChemistryMoleculeOrganic chemistryElectronPhysicsQuantum mechanicsNonlinear Optical Materials ResearchFullerene Chemistry and ApplicationsSynthesis and Properties of Aromatic Compounds