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Static/dynamic first and second order hyperpolarizabilities, optimized structures, IR, UV–Vis, 1H and 13C NMR spectra for effective charge transfer compounds: A DFT study

Ömer Tamer, Merve Şimşek, Davut Avcı, Yusuf Atalay

2022Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy31 citationsDOI

Topics & Concepts

ChemistrySulfonateHOMO/LUMOSpectral lineMolecular orbitalHyperpolarizabilityCharge (physics)Carbon-13 NMRMoleculeProton NMRAnalytical Chemistry (journal)Computational chemistryMolecular physicsMaterials sciencePhysical chemistryStereochemistryPhysicsOrganic chemistryPolarizabilityAstronomyQuantum mechanicsSodiumNonlinear Optical Materials ResearchSynthesis and biological activityPhotochemistry and Electron Transfer Studies
Static/dynamic first and second order hyperpolarizabilities, optimized structures, IR, UV–Vis, 1H and 13C NMR spectra for effective charge transfer compounds: A DFT study | Litcius