Chinese Journal of Applied Chemistry ›› 1997, Vol. 0 ›› Issue (6): 26-29.
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Xu Lu, Zhong Fei
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Abstract: The aN-index based on the quantum theory performs well but it can only be used for saturated hydrocarbons. An extended aN-index called the general aN-index has been developed and a new scheme for its calculation is adapted to obtain a set of parameters of orbital interactions. The general aN-index can be used for almost all kinds of organic compounds including those containing heteroatoms and multiple bonds. The procedure for computing the general aN-index is described and some examples of applications of the general aN-index are given in the paper.
Key words: general aN-index, CNDO/2, QSPR
Xu Lu, Zhong Fei. Method of Topological Indices in Quantitative Study of Structure Property/Activity Relationships[J]. Chinese Journal of Applied Chemistry, 1997, 0(6): 26-29.
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