DFT molecular simulations for static, dynamic and solvent-dependent nonlinear optical properties of triphenylamine-carbazole-based organic dyes with D-D-A framework
Muhammad Usman Khan, Sehar Nadeem, Aliha Fatima, Junaid Yaqoob, Muhammad Khalid, Faheem Abbas, Norah Alhokbany, Muhammad Ramzan Saeed Ashraf Janjua
Topics & Concepts
HyperpolarizabilityTriphenylamineChemistryCarbazoleDensity functional theorySolvatochromismSolvent effectsComputational chemistryPolarizable continuum modelSolventAcceptorPhysical chemistryPolarizabilityPhotochemistryMoleculeOrganic chemistryPhysicsCondensed matter physicsNonlinear Optical Materials ResearchNonlinear Optical Materials StudiesOrganic Chemistry Cycloaddition Reactions