Solvent enhancement and isomeric effects on the NLO properties of a photoinduced cis-trans azomethine chromophore: A sequential MC/QM study
Antonio Raiol, Antônio R. da Cunha, Vinícius Manzoni, Tarciso Andrade‐Filho, Rodrigo Gester
Topics & Concepts
IsomerizationHyperpolarizabilityChromophoreChemistrySolventMoleculeSolvent effectsDipoleComputational chemistryBasis setDensity functional theoryPhysical chemistryPhotochemistryOrganic chemistryCatalysisPolarizabilityNonlinear Optical Materials ResearchPhotochemistry and Electron Transfer StudiesPhotochromic and Fluorescence Chemistry