LOCALIZATION OF ELECTRONS IN INTERMETALLIC PHASES CONTAINING ALUMINUM
LOCALIZATION OF ELECTRONS IN INTERMETALLIC PHASES CONTAINING ALUMINUM
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DOI：
10.1002/anie.199420691
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发表时间：
1994-11-02
期刊：
影响因子：
--
通讯作者：
NESPER, R
中科院分区：
文献类型：
--
作者：
HAUSSERMANN, U;WENGERT, S;NESPER, R
Al 在金属间化合物和 Zintl 相中表现出多种形式的化学键合。这是通过计算 Al、CaAl2、SrAl2、BA14、CaAl2Si2 和 Si 系列的电子局域函数来揭示的。通过此过程，可以清楚地区分金属、共价多中心以及同核和异核单键。
Many forms of chemical bondingare exhibited by Al in intermetallic and Zintl phases. This is revealed by the calculation of the electron localization function for the series Al, CaAl2, SrAl2, BA14, CaAl2Si2, and Si. With this procedure it is possible to distinguish clearly between metallic, covalent multicenter, and homo‐ and hetero‐nuclear single bonding.