Novel pull–push organic switches with D–π–A structural designs: computational design of star shape organic materials
Abrar U. Hassan, Ayesha Mohyuddin, Cihat Güleryüz, Sohail Nadeem, Nyiang Kennet Nkungli, Sadaf Ul Hassan, Mohsin Javed
Topics & Concepts
HyperpolarizabilityChemistryChromophoreDensity functional theoryNatural bond orbitalBasis setAcceptorBand gapAbsorption spectroscopyHOMO/LUMOMoietyComputational chemistryMoleculePhotochemistryMaterials scienceOptoelectronicsStereochemistryOrganic chemistryQuantum mechanicsPhysicsPolarizabilityCondensed matter physicsNonlinear Optical Materials ResearchPhotochromic and Fluorescence ChemistryNonlinear Optical Materials Studies