【摘要】 用分子连通性指数及其基于此的信息拓扑指数对烷烃分子的摩尔体积等7类理化性质进行了研究.结果发现,烷烃的理化性质与拓扑指数有着良好的线性关系,复相关系数有5类性质R>0.99,两类R>0.98.更多还原

【Abstract】 Connectivity indices and information topological indices of 82 alkanes were calculated based on the definitions of Randic M and bonchev D. Seven kinds of physico-chemical propertie of alkanes were correlated with the topological indices N, ′X,I_X.The linear regression results showed that the physico-chemical were in excellent agreement with the topological indices.更多还原