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• W2364397668 abstract "This contribution of the understanding of non-linear optical(NLO) properties of organic system is concentrated on donor-acceptor aromatic systems.We report accurate ab initio quantum chemical calculations of the first static hyperpolarizablility(β) and electronic spectra of organic molecule containing push-pull components.Geometries of molecular were optimized by the AM1 methods.The Uv-visible spectrum was calculated by ZINDO/S method.The β was obtained to be in the same order at the Hartree-Fock level with STO-3G minimal basis set and with the 6-31G basis set using Gaussian 98 program.The result suggested that the molecular can be used in optical communication and computation in the future." @default.
• W2364397668 created "2016-06-24" @default.
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• W2364397668 date "2006-01-01" @default.
• W2364397668 modified "2023-09-26" @default.
• W2364397668 title "Structure and second-order optic properties of organic molecular with push and pull components" @default.
• W2364397668 hasPublicationYear "2006" @default.
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