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Nonlinear optical response of 9,10-bis(phenylethynyl)anthracene mediated by electron donating and electron withdrawing substituents: A density functional theory approach

Faiz Rasool, Ajaz Hussain, Muhammad Yar, Khurshid Ayub, Muhammad Sajid, Muhammad Ali Khan, Hafiz Muhammad Asif, Muhammad Imran, Mohammed A. Assiri

2022Materials Science in Semiconductor Processing16 citationsDOI

Topics & Concepts

HyperpolarizabilityNatural bond orbitalPolarizabilityDensity functional theoryAnthraceneChromophoreHOMO/LUMOGround stateMaterials scienceTime-dependent density functional theoryMoleculeAbsorption spectroscopyPolar effectElectron acceptorAbsorption (acoustics)PhotochemistryElectron affinity (data page)Polarizable continuum modelPhysical chemistryComputational chemistryChemistryOrganic chemistryAtomic physicsPhysicsComposite materialQuantum mechanicsSolvationNonlinear Optical Materials ResearchSynthesis and Properties of Aromatic CompoundsPhotochemistry and Electron Transfer Studies
Nonlinear optical response of 9,10-bis(phenylethynyl)anthracene mediated by electron donating and electron withdrawing substituents: A density functional theory approach | Litcius