【摘要】 <正> 近年来,应用图论(graph theory)的理论和方法来研究化学现象已日益增多,并取得了明显的进展。1974～1975年间,Randic应用这种理论和方法来描述分子的拓扑性质,即分子中每个原子的连接状况——分子结构式,并按图式的边(edge,即化学键)和每个顶点(vertex,即原子)的度(degree,即原子在分子中所处的价态)来计算出每个分子结构式的特征值——连通指数(Connecfivify index)。Randic指出许多与分子形状、大更多还原

【Abstract】 By using the connectivity indices which Randic derived from graph theory. the retention indices of several 9-substituted carbazoles have been predicted with success on both polar and nonpolar stationary phases except a few of them due to conjugation or hyperconjugation effect in the molecules.The prediction of fhe retention indices of 36 polycyclic esters and polycyclic alcohols on both polar and non-polar columns is also satisfactory.更多还原