Computational study of non-linear optical and electrical properties of 1,3-dinitropyrene
Shradha Lakhera, Meenakshi Rana, Kamal Devlal, Vivek Dhuliya
Topics & Concepts
HyperpolarizabilityDensity functional theoryMolecular orbitalTime-dependent density functional theorySuperexchangevan der Waals forceChemical physicsMolecular physicsMaterials scienceMoleculeChemistryComputational chemistryPolarizabilityOrganic chemistryIonNonlinear Optical Materials ResearchFullerene Chemistry and ApplicationsSynthesis and Properties of Aromatic Compounds