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Citation: LI Xiao-Yan, ZENG Yan-Li, SUN Zheng, MENG Ling-Peng, ZHENG Shi-Jun. Study of the Atomic Shell Structures of Main Group Atoms by the Electron Location Function[J]. University Chemistry, ;2016, 31(1): 79-82. doi: 10.3866/pku.DXHX20160179 shu

Study of the Atomic Shell Structures of Main Group Atoms by the Electron Location Function

1.
College of Chemistry and Material Science, Hebei Normal University, Shijiazhuang 050024, P. R. China

Corresponding author: ZHENG Shi-Jun,
Fund Project: 国家自然科学基金(21372062,21371045,21373075) (21372062,21371045,21373075)河北省自然科学基金(B2016205042,B2015205210) (B2016205042,B2015205210)河北省教育厅重点课题(ZD20131053) (ZD20131053)

The atomic shell structure of the first to the fourth row elements were studied by the electron location function(ELF).The shell radii and population in individual shells were calculated and the relationship between the atom numbers and the atomic radii was discussed.The results could help to understand the atomic shell structure.
- Topological analysis of electron density,
- Electron location function,
- Atomic shell
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