On the one hand, it tests the results of experiment; on the other hand, it provides theoretical guidance for the experiment. Based on the experiment, we study silica anion cluster using DFT method.
本论文在实验基础上，通过密度泛函理论中的B3LYP方法结合不同的基组对二氧化硅离子团簇进行了理论研究。
On the one hand, it tests the results of experiment; on the other hand, it provides theoretical guidance for the experiment. Based on the experiment, we study silica anion cluster using DFT method.
本论文在实验基础上，通过密度泛函理论中的B3LYP方法结合不同的基组对二氧化硅离子团簇进行了理论研究。
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