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Investigation of the nonlinear optical properties of 1, 3-substitued squaraine derivative molecules by finite field method
Author(s): 
Pages: 90-94
Year: Issue:  1
Journal: JOURNAL OF FUZHOU UNIVERSITY(NATURAL SCIENCE EDITION)

Keyword:  方酸衍生物非线性光学第一超极化率FF/AM1;
Abstract: 为了进一步研究方酸及其衍生物的非线性光学性质, 设计了给电子和吸电子基团取代的1, 3位取代方酸小分子, 用FF/AM1方法对其非线性光学性质进行了计算. 结果表明, 与典型D-π-A结构的分子对硝基苯胺(PNA)相比, 多数方酸衍生物具有更强的光学非线性.
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