| 链烷烃热力学性质的分子拓扑研究 |
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| 引用本文： | 黄长友. 链烷烃热力学性质的分子拓扑研究[J]. 青岛科技大学学报(自然科学版), 2007, 28(6): 490-493 |
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| 作者姓名： | 黄长友 |
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| 作者单位： | 青岛科技大学,化学与分子工程学院,山东,青岛,266042 |
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| 摘 要： | 基于核磁共振现象定义一个新的拓扑指数(1R),用最小二乘法建立方程,使一阶1R和碳原子数N与热力学性质相关联。
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| 关 键 词： | 核磁共振 热力学性质 链烷烃 拓扑指数 |
| 文章编号： | 1672-6987（2007）06-0490-04 |
| 收稿时间： | 2006-12-25 |
| 修稿时间： | 2006-12-25 |
Molecular Topological Research on Thermodynamic Properties of Alkanes |
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| HUANG Chang-you. Molecular Topological Research on Thermodynamic Properties of Alkanes[J]. Journal of Qingdao University of Science and Technology:Natutral Science Edition, 2007, 28(6): 490-493 |
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| Authors: | HUANG Chang-you |
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| Abstract: | A novel topological index(1R) based on the phenomenon of nuclear magnetic resonance was derived.The thermodynamic properties were correlated with 1R and carbon atom number N.Their linear regression equations were set up by the least square method.The calculated values are in excellent agreement with the experimental ones. |
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| Keywords: | nuclear magnetic resonance thermodynamic property alkane topological index |
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