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class="title">單硫醚氣相色譜保留指數(shù)的分子拓?fù)溲芯?/h1> <div id="kz5jjfn0" class="info"> <span id="kz5jjfn0" class="time">時(shí)間：2023-04-27 16:34:57 </span> <span id="kz5jjfn0" class="sm_after_time"></span> <span id="kz5jjfn0" class="source"><a target="_blank" href="http://www.oriental01.com/lunwenzhaiyao/shulihualunwen/" title="數(shù)理化學(xué)論文">數(shù)理化學(xué)論文</a></span> <span id="kz5jjfn0" class="source"><a target="_blank" href="http://www.oriental01.com/usr/login.html" title="我要投稿">我要投稿</a></span> </div> <script type="text/javascript">s("content_top");</script> <div id="kz5jjfn0" class="content"> <div id="kz5jjfn0" class="excellent_articles_box"> <ul> <li id="kz5jjfn0" class="excellent_articles_title">相關(guān)推薦</li> </ul> </div> <p>單硫醚氣相色譜保留指數(shù)的分子拓?fù)溲芯?/p><p>分子中原子i的特征值定義為:ti=(1)/(2)×(n2i)/(mi)×pi×(χi)/(χCsp3)1.5×(∑eij+hi(-e)i),由ti建構(gòu)了分子連接性指數(shù)mL,其中的零階指數(shù)、一階指數(shù)修正為:0L=∑(ti)0.5+β0.5;1L=∑(ti×tj)0.5+β.研究了0L、1L與64個(gè)飽和硫醚和29個(gè)不飽和硫醚在4種不同極性固定相上氣相色譜保留指數(shù)的相關(guān)性,給出了相關(guān)方程,相關(guān)性良好,相關(guān)系數(shù)均大于0.98.并以飽和單硫醚為例,建構(gòu)了64個(gè)硫醚在4種不同極性固定相上256個(gè)氣相色譜保留指數(shù)的統(tǒng)一模型:RI=110.4169-2.54230L+7.0061?1L+3.1730CP,R=0.9892,用該模型對(duì)硫醚保留指數(shù)的計(jì)算結(jié)果表明,計(jì)算值和實(shí)驗(yàn)值接近,平均相對(duì)誤差為1.66%.</p><p style="text-align: center;"><img loading="lazy" src="https://p.9136.com/00/l/d1d0bebf2_5ee436866a1ca.jpg" alt="單硫醚氣相色譜保留指數(shù)的分子拓?fù)溲芯?/></p> 作者：陳艷 CHEN Yan 作者單位：徐州教育學(xué)院化學(xué)系,徐州,221006 刊名：武漢理工大學(xué)學(xué)報(bào) ISTIC PKU 英文刊名： JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY 年，卷(期)： 2007 29(3) 分類(lèi)號(hào)： O658 關(guān)鍵詞：單硫醚氣相色譜保留指數(shù) 定量結(jié)構(gòu)-保留相關(guān)性 <script>s("content_relate");</script><p>【單硫醚氣相色譜保留指數(shù)的分子拓?fù)溲芯俊肯嚓P(guān)文章：</p><p><a target="_blank" 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