| 一种新的连接性指数与卤化物热力学性质的相关性 |
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| 引用本文： | 陈艳,冯长君.一种新的连接性指数与卤化物热力学性质的相关性[J].南京工业大学学报(自然科学版),2001,23(3):63-66. |
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| 作者姓名： | 陈艳 冯长君 |
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| 作者单位： | 徐州教育学院化学系, |
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| 摘 要： | 定义原子特征值f
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| 关 键 词： | 连接性指数 卤化物 热力学性质 相关性 |
| 文章编号： | 1007—7537(2001)03—0063—04 |
| 修稿时间： | 2000年10月24 |
A novel connectivity index
for qspr studies on the thermodynamic properties of halides |
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| CHEN Yan,FENG Chang-jun.A novel connectivity index
for qspr studies on the thermodynamic properties of halides[J].Journal of Nanjing University of Technology,2001,23(3):63-66. |
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| Authors: | CHEN Yan FENG Chang-jun |
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| Abstract: | Atomic characteristic value (fi) is defined as: fi=Δpi×mini，considering the contribution of hydrogen atom to the molecular structure and properties, fi is modified to: fi=Δpi×mi/ni+hi0.5. Based on the adjacency index mY is built up, +0Y=∑fi0.5, 1Y=∑(fi×fj)0.5. There is high correlativity between ΔfHmof SiHmXn, TiXn and ΔfHm,ΔfGm of CHmXn. |
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