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Journal of the Mexican Chemical Society
<p>In this study, the energy gaps, second-order nonlinear optical (NLO) properties and dipole polarizabilities of triphenylamine based α-cyanocinnamic acid acetylene derivatives have been investigated via using time-dependent density functional response theory. These compounds were designed theoretically by fluorine (F) atom substitution at different positions of phenyl ring end of the α-cyanocinnamic acid segment. The results have indicated that the systems substituted by fluorine showdoi:10.29356/jmcs.v62i3.551 fatcat:fy7e7skmvrhdloieolboaoqe5m