【摘要】 在Randic分子价连接性拓扑指数的基础上,结合乙酸氯酯类化合物的结构特点,构建了分子连接性指数mG,该指数具有优异的结构选择性.用其1阶指数1G与酯类化合物保留指数值相关联,拟合得到线性回归方程,相关系数为0.988,预测计算取得了较好的结果.更多还原

【Abstract】 On the basis of the topological index of Randic molecular connection,the topological index of molecular connection(mG) with excellent structural discrimination is established in accordance with the structural characteristics of ester compounds.From the correlations between its first order index(1G) and the retention index of ester compounds,obtained by fitting is the linear regression equation with the correlation coefficient of 0.988,thus resulting in fairly accurate predictive calculations.更多还原