摘要
采用新的计算方案，给出广义ａＮ指数的计算过程、所得参数及应用例子．
The aNindex based on the quantum theory performs well but it can only be used for saturated hydrocarbons. An extended aNindex called the general aNindex has been developed and a new scheme for its calculation is adapted to obtain a set of parameters of orbital interactions. The general aNindex can be used for almost all kinds of organic compounds including those containing heteroatoms and multiple bonds. The procedure for computing the general aNindex is described and some examples of applications of the general aNindex are given in the paper.
出处
《应用化学》
CAS
CSCD
北大核心
1997年第6期26-29,共4页
Chinese Journal of Applied Chemistry
