Though cubane-like clusters show little values, our calculations indicate that it is possible to obtain NLO crystals with large values by further appropriate molecular design.
分子模拟的研究表明：虽然类立方烷结构簇分子的值比较小， 但是通过合理的配体设计，获得具有较大值非线性光学晶体是可能的。
The second-order NLO properties of a series of tri-nuclear transition metal clusters with incomplete cubane-like structures were studied by using the first-principle quantum chemical method.
研究了具有欠完整立方烷构型的过渡金属原子簇分子的二阶非线性光学性质。
The second-order NLO properties of a series of tri-nuclear transition metal clusters with incomplete cubane-like structures were studied by using the first-principle quantum chemical method.
研究了具有欠完整立方烷构型的过渡金属原子簇分子的二阶非线性光学性质。
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