| 连接性指数与Kov(a)ts指数的相关性研究 |
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| 引用本文： | 秦正龙,冯长君.连接性指数与Kov(a)ts指数的相关性研究[J].化学分析计量,2003,12(6). |
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| 作者姓名： | 秦正龙 冯长君 |
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| 作者单位： | 徐州师范大学化学系,徐州,221116 |
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| 基金项目： | 江苏省高校自然科学研究项目(02KJB150008) |
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| 摘 要： | 在分子拓扑理论的基础上,提出一种新的拓扑指数——连接性指数~mG,其中。计算了12个系列94种分子的~0G、~1G值,发现~0G或~1G与这些化合物的Kovts指数具有很好的相关性。该模式计算方法简单,使用方便,预测结果理想。
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| 关 键 词： | 连接性指数 Kovts指数 定量结构 相关性 |
STUDY ON THE CORRELATIVITY OF CONNECTIVITY INDICES AND Kov(a)ts INDICES |
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| Qin Zhenglong,Feng Changjun.STUDY ON THE CORRELATIVITY OF CONNECTIVITY INDICES AND Kov(a)ts INDICES[J].Chemical Analysis And Meterage,2003,12(6). |
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| Authors: | Qin Zhenglong Feng Changjun |
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| Abstract: | Based on the molecular topological theory, a novel topological index mG is put forward, where in 0G= Ai,1C = (Ai.Ai). 0G and 1C values of 94 molecules for 12 series of compounds are calculated. It is found that 0G,1C are correlated well with the retention indices I of gas chromatography for these compounds. It has been demonstrated that the method possesses the advantage of easy computation. The prediciting results with 0G,1G by the models are also satisfactory. |
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| Keywords: | connectivity index Kovats index quantitative structure correlativity |
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