Ab initio Effective Core Potentials (ECP) Calculation on Group ⅢA Trimethyl Compounds

被引：0
|
作者：
王永成
耿志远
韦统师
机构：
[1] Department of Chemistry Northwest Normal University
[2] Lanzhou 730070 PRC
来源：
Chinese Science Bulletin | 1993年 / 11期
关键词：
group ⅢA trimethyl compound; ab initio effective core potential (ECP) calculation; Koopmans ionization potential (IP);
D O I：
暂无
中图分类号：
学科分类号：
摘要：
There have been numerous studies of the photoelectron spectra (PES) on group ⅢA trimethyl compound MMe(M=B, Al, Ga and In). However, no reports on the theoretical Koopmans’ IPs have ever been seen for MMeexcept BMe. In literature the assignment of the spectral band and the study on the electronic structure of M ’Me(M’=
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页码：908 / 911
页数：4
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