枝状烷烃Wiener与MTI拓扑指数的序贯算法

Sequential Arithmetic of MTI or Wiener Moledular Topological Indices for Twiggy Alkyl Hydrocarbon

将任一枝状烷烃拆分为由直链单元与余下烷基两部分构成,从隐氢图的距离矩阵和邻接矩阵出发,分别导出了计算该烷烃的MTI和Wiener拓扑指数的递推公式,进而证明了直链烷烃的MTI与Wiener指数间存在3.642857W≤MTI≤4W关系,获得了比文献中的2v_(min)W<MTI≤2v_(max)W关系更为细致精确的分类结果。

Any alkyl hydrocarbon is made of two units: the alkyl parts and the straight chain cell. According to the adjacency matrix and distance matrix of the two units, the sequential formulas to calculate Wiener topological indices or molecular topological indices have been given. The connection 3.642857W < MTI≤4W between this two topological indices and straight chain alkyl hydrocarbon is existed. Compared with 2vminW < MTI ≤ 2vmaxW in the literature, the more particularity and the more exactitude result has been obtained in this article.