Chinese Journal of Applied Chemistry ›› 1992, Vol. 0 ›› Issue (6): 36-41.

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STUDY ON MOLECULAR STRUCTURE-PROPERTY CORRELATION——A NEW TOPOLOGICAL INDEX AND ITS APPLICATIONS

Yao Yuyuan, Xu Lu, Yuan Xiushun   

  1. ChangChun Institute of Applied Chemistry, Academia Sinica, Changchun 130022
  • Received:1992-01-20 Revised:1992-03-18 Published:1992-12-10 Online:1992-12-10

Abstract: Based on the graph theory, a new topological index has been proposed and used in studying the physical and chemical properties of alkanes. It is concluded that this index bears a better stucture selectivity and relativity than other topological indexes.

Key words: topological index, alkane, QSPR