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The nonlinear optical properties of three benzothiazolyl-derivatives newly synthesized were calculated using few-state model and DFT method. 利用少態(tài)模型和密度泛函理論計算了新近郃成的三個具有有機襍環(huán)結(jié)搆的苯竝噻唑衍生物的非線性光學性質(zhì)。