Distortions from octahedral symmetry in hypoelectronic six-vertex polyhedral clusters of the group 13 elements boron, indium, and thallium as studied by density functional theory.
Distortions from octahedral symmetry in hypoelectronic six-vertex polyhedral clusters of the group 13 elements boron, indium, and thallium as studied by density functional theory.
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通过密度泛函理论研究 13 族元素硼、铟和铊的低电子六顶点多面体簇中八面体对称性的畸变。
DOI：
10.1021/ic0009932
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发表时间：
2001
影响因子：
4.6
通讯作者：
A. Kun
中科院分区：
文献类型：
--
作者：
R. King;I. Silaghi;A. Kun
用密度泛函方法计算了六原子二十碳原子团簇（Ic_（6 z-）：z = 4，6，8; Ic = B，In，Tl）的优化结构：（a）Ic_（68-），正八面体.
The following optimized structures have been obtained for the six-atom icosogen clusters (Ic6z-: z = 4, 6, 8; Ic = B, In, Tl) using density functional calculations: (a) Ic68-, regular octahedral ...