Chem. J. Chinese Universities ›› 1993, Vol. 14 ›› Issue (12): 1729.

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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

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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