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- W1974841567 abstract "The second-order nonlinear optical (NLO) property of a series of axially substituted zinc porphyrin has been studied based on the density functional theory calculations. Our calculations show that they possess considerable second-order NLO property. The static first hyperpolarizability of these zinc porphyrins can be finely tuned by electron donor strength and the position and number of porphyrin core. Meanwhile, the two-dimensional second-order NLO properties of the axially subsumed zinc porphyrin also have been studied. Introduction of the donor–acceptor branch along radial direction is better than axial direction for their two-dimensional second-order NLO properties according to our hyperpolarizability calculations." @default.
- W1974841567 created "2016-06-24" @default.
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- W1974841567 date "2014-01-01" @default.
- W1974841567 modified "2023-09-23" @default.
- W1974841567 title "Computational study on second-order nonlinear optical properties of a series of axially substituted zinc porphyrin" @default.
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- W1974841567 doi "https://doi.org/10.1016/j.comptc.2013.10.016" @default.
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