| 拓扑指数多元校正法预测气相色谱保留值 |
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| 引用本文： | 何旭元,陈远道,周谷珍.拓扑指数多元校正法预测气相色谱保留值[J].湖南文理学院学报(自然科学版),2001,13(2):62-64. |
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| 作者姓名： | 何旭元 陈远道 周谷珍 |
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| 作者单位： | 常德师范学院化学化工系!湖南常德415000 |
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| 摘 要： | Aml、Xz 和1X 3种拓扑指数与 18种非同系物烃类在 3种固定液上的气相色谱保留指数的关联结果表明 :多元校正法可比常规一元校正法得到更好的相关关系 ,三元校正法可使回归方程的相关系数达 0 .9912以上 ,预测时的计算误差低于 1.5 1% ,对于非同系物烃类的色谱保留值的预测 ,能满足一般预测要求
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| 关 键 词： | 拓扑指数 保留指数 多元校正 |
| 文章编号： | 1009-3818(2001)02-0062-03 |
| 修稿时间： | 2001年3月1日 |
CALCULATION OF GAS CHROMATOGRAPHIC RETENTION INDICES WITH TOPOLOGICAL INDICES BY MULTIPLE LINEAR REGRESSION |
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| HE Xu-yuan,CHEN Yuan-dao,ZHOU Gu-zhen.CALCULATION OF GAS CHROMATOGRAPHIC RETENTION INDICES WITH TOPOLOGICAL INDICES BY MULTIPLE LINEAR REGRESSION[J].Journal of Hunan University of Arts and Science:Natural Science Edition,2001,13(2):62-64. |
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| Authors: | HE Xu-yuan CHEN Yuan-dao ZHOU Gu-zhen |
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| Abstract: | The correlative relationship between three topological indices( A m1 ,X z and 1X ) and gas chromatographic retention indices of some hydrocarbon compounds was studied.The correlative relationship could be improved by combining two of those topological indices.Correlative coefficient over 0.991 2 and calculation deviation under 1.51% could be obtained by multiple linear regression. |
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| Keywords: | topological indices retention indices multiple linear regression |
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