%0 Journal Article
%T Correlation Between Molar Response Values and Topological Indices<br>摩尔响应值与拓扑指数的关系
%A Su Hongwei
%A Wu Ningsheng
%A Shi Wenjuan
%A <br>苏红伟
%A 吴宁生
%A 史文娟
%J 色谱
%D 1996
%I 
%X The correlation between molar response values of alkane, alkanol, ketone or benzene series on TCD or FID and two topological indices (molecular connectivity index. X, and a new topological index, Xz) has been examined. Linear regression results show that there exists linear correlation between them. The molar response values, SM, can be expressed as: SM= a1 b1Xt(1), SM=a2 b2Xz (2). where a1,b1,a2 and b2 are coefficients. The correlation coefficients are all over 0.97, and those of Eq(2) are better than those of Eq(1). Among these compounds, limits of relative errors of alkane calculated from Eq(1) or Eq(2) are the smallest, and those on TCD are smaller than those on FID except for benzene series. The reason is that each data set of molar response values on FID in references cited for these categories of compounds were taken from different sources which were obtained under different experimental conditions.
%K gas chromatography
%K thermal conductivity detector
%K flame ionization detector
%K topological indices
%K molar response value
%K alkane and alkanol
%K benzene series
%K ketone<br>气相色谱法
%K 拓扑指数
%K 摩尔响应值
%K 链烷烃
%K 链烷醇
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=6579068328FE643F&jid=4D81E042D77AFEC6881D14759692069C&aid=798AA8339DF84A0EA396E74F18F3E8F5&yid=8A15F8B0AA0E5323&vid=F3583C8E78166B9E&iid=94C357A881DFC066&sid=389106FB36CA8332&eid=73648F51F187AC5E&journal_id=1000-8713&journal_name=色谱&referenced_num=3&reference_num=2