色谱2001，Vol.19Issue(2)：124-127,4.
胺类化合物Kováts指数的拓扑研究
Topological Research of Kováts Indices for Amines
摘要
Abstract
A novel connectivity index（mQ） is defined as mQ=∑(ti*tj*tk*…）-0．5 in this paper． 0Q and 3Q have very good correlation for Kováts indices of 22 amines on three stationary phases（OV-101,OV-225 and NGA）．Their linear regression equations are proposed as follows：IOV-101=118.341+197.854×0Q+448.773×3Q， r=0.973 3； IOV-225=249.218+1 815.760×3Q+343.222×1Q， r=0.974 6； INGA=382.196+2 004.277×3Q+318.416×1Q， r=0.973 4. These models can better elucidate the change rule of Kováts indices for the amines． Furthermore, a modified Jackknife's test was performed to validate the model robustness.关键词
连接性指数/胺类化合物/Kováts指数/分子结构与色谱保留定量相关性/Jackknife检验分类
化学化工引用本文复制引用
冯长君,堵锡华..胺类化合物Kováts指数的拓扑研究[J].色谱,2001,19(2):124-127,4.
