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On structure and hyperhalogen properties of hetero-binuclear superatoms MM′

  • 【作者】Hui Yang,Ying Li,Jian-Guo Zhao,Bao-Yan Xing,Hui-Min He,Shang Jiang,Min-Jun Pang
  • 【刊名】Polyhedron
  • 【作者单位】1 Institute of Carbon Materials Science, Shanxi Datong University, Datong 037009, China; 2 Institute of Theoretical Chemistry, College of Chemistry, Jilin University, 2 Liutiao Road, Changchun 130023, China; 3 Physics Department, Taiyuan Normal University, Taiyuan 030619, China
  • 【年份】2021
  • 【页码】115456
  • 【ISSN】0277-5387
  • 【关键词】Hyperhlaogen, Binuclear Vertical electron detachment energy superatom Theoretical calculation 
  • 【摘要】 A series of hetero-binuclear superatom motifs, namely MM′ n − have been characterized by using density functional theory calculations. It is found that the preferential coordination number is four for central Mg and Al atoms. The dissociation ener...
  • 【文献类型】 期刊
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