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- W2163705211 abstract "The semi-empirical method ZINDO was employed to study relationship between macroscopic optical nonlinear parameter μβ/MW (where μ is the dipole moment, β is the first hyperpolarizability, and MW is molecular weight) and the number of parallel non-conjugated D-π-A units in a chromophore. The computational results show that macroscopic optical nonlinear parameter μβ/MW value increases remarkably from 1.64 to 2.53 with increasing the number of parallel and non-conjugated p-Nitroaniline (PNA) units in a chromophore from 1 to 3. Then the μβ/MW value decreases rapidly from 2.53 to 0.43 with increasing the number of PNA units in a chromophore from 3 to 5. It suggests that design of chromophores containing two or three parallel non-conjugated D-π-A units would be an effective strategy for increasing the first hyperpolarizability and macroscopic optical nonlinearity of designed NLO materials." @default.
- W2163705211 created "2016-06-24" @default.
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- W2163705211 date "2013-06-01" @default.
- W2163705211 modified "2023-10-02" @default.
- W2163705211 title "THEORETICAL STUDY OF MACROSCOPIC OPTICAL NONLINEARITIES OF PARALLEL CONNECTION CHROMOPHORES CONTAINING PNA UNITS" @default.
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- W2163705211 doi "https://doi.org/10.1142/s0218863513500148" @default.
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