DFT and TD-DFT study on quadratic NLO response and optoelectronic activity in novel Y-shaped imidazole-based push-pull chromophores
Lamia Kara Zaitri, Sidi Mohamed Mekelleche
Topics & Concepts
ChromophorePhotochemistryIntramolecular forceChemistryHOMO/LUMODensity functional theoryAcceptorImidazoleFluorescenceMolecular orbitalMoietyPolarizable continuum modelMoleculeMaterials scienceComputational chemistryStereochemistrySolvationPhysicsQuantum mechanicsOrganic chemistryCondensed matter physicsNonlinear Optical Materials ResearchLuminescence and Fluorescent MaterialsOrganic and Molecular Conductors Research