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金团簇配合物W@Au12PX3 (X = H, F, Cl, Br, I)中Au－P键的相对论DFT研究，李佳，仇毅翔，本文以相对论DFT方法研究了金团簇WAu12与配体PX3(X=H, F, Cl, Br, I)的几何构型与Au－P键的性质，得到一些系列通性。能量分解分析证实PX3为σ�
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