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A DFT Study on New Photovoltaic Dyes to Investigate their NLO Tuning at Near Infrared Region (NIR) as Pull–push Effect by End Capped Acceptors

Abrar U. Hassan, Sajjad Hussain Sumrra, Muhammad Faizan Nazar, Cihat Güleryüz

2022Journal of Fluorescence41 citationsDOI

Topics & Concepts

HyperpolarizabilityChemistryNatural bond orbitalMolecular orbitalPolarizabilityDensity functional theoryIntramolecular forceHOMO/LUMOAcceptorMoleculeComputational chemistryTime-dependent density functional theoryPhotochemistryChemical physicsOrganic chemistryPhysicsCondensed matter physicsNonlinear Optical Materials ResearchSynthesis and biological activityNonlinear Optical Materials Studies
A DFT Study on New Photovoltaic Dyes to Investigate their NLO Tuning at Near Infrared Region (NIR) as Pull–push Effect by End Capped Acceptors | Litcius