高等学校化学学报

高等学校化学学报 ›› 1993, Vol. 14 ›› Issue (12): 1729.

• 研究快报 • 上一篇    下一篇

碳管笼烯的稳定性问题

唐敖庆1, 李前树2, 黄小钟2   

  1. 1. 吉林大学理论化学研究所, 理论化学计算国家重点实验室;
    2. 北京理工大学化工与材料学院, 北京 100081
  • 收稿日期:1993-08-19 出版日期:1993-12-24 发布日期:1993-12-24
  • 通讯作者: 李前树.
  • 作者简介:唐敖庆, 男, 78岁, 博士, 教授, 学部委员.
  • 基金资助:

    国家自然科学基金;国家教委博士点基金

Studies on the Stability for the Carbon Tube Cage-Alkene

TANG Au-Chin1, LI Qian-Shu2, HUANG Xiao-Zhong2   

  1. 1. Institute of Theoretical Chemistry, National Key Laboratory of Computational Theoretical Chemistry, Jilin Universily, Changchun;
    2. College of Chemical Engineering and Material Science, Beijing Institute of Technology, Beijing, 100081
  • Received:1993-08-19 Online:1993-12-24 Published:1993-12-24

PDF (PC)

被引次数

3

关键词: 碳原子簇, 碳管笼烯, 图形理论

Abstract: Eigenvalue of Huckel Hamiltonian for carbon tube cage-alkene C2p(k+2)(p= 3,4.5, …; k=1,2,3,…) has been discussed with the help of group theory and graph theory.Then the eigenvalues of some sets with 4≤p≤12, 1≤k≤12 have been calculated by the derived formulas in text and certain general rules on the stability were obtained from the calculated results.

Key words: Carbon cluster, Carbon tube cage-alkene, Graph theory

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