[1]冯长君.分子树拓扑指数与卤代烷标准熵的相关性研究[J].东南大学学报(自然科学版),2000,30(5):131-135.[doi:10.3969/j.issn.1001-0505.2000.05.029]
 Feng Changjun.Correlation Studies Between Topological Index of Molecular Tree and Standard Entropies for Haloalksnes[J].Journal of Southeast University (Natural Science Edition),2000,30(5):131-135.[doi:10.3969/j.issn.1001-0505.2000.05.029]
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分子树拓扑指数与卤代烷标准熵的相关性研究()
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《东南大学学报(自然科学版)》[ISSN:1001-0505/CN:32-1178/N]

卷:
30
期数:
2000年第5期
页码:
131-135
栏目:
化学化工
出版日期:
2000-09-20

文章信息/Info

Title:
Correlation Studies Between Topological Index of Molecular Tree and Standard Entropies for Haloalksnes
作者:
冯长君
徐州教育学院统计化学研究室,徐州 221006
Author(s):
Feng Changjun
Research Group of Statistical Chemistry,Xuzhou Education College,Xuzhou 221006
关键词:
分子树 拓扑指数 叶指数 干指数 卤代烷 标准熵
Keywords:
molecular tree topological index leaf index trunk index haloalkane standard entropy
分类号:
O6-051
DOI:
10.3969/j.issn.1001-0505.2000.05.029
摘要:
采用非隐氢图和原子熵价(di)建构分子树拓扑指数(mT)及其分支指数:叶指数(m′TX)和干指数(mTc).其中0TX,1Tc与88种气态卤代烷标准熵(Sθm)显著相关,其复相关系数R为0.987 7,明显优于Kier的0x
Abstract:
A novel topological index(mT)of molecular tree based on the atomic entropy value(di)and molecular structure formula is derived in this paper,and decomposed into leaf index(m′TX)and trunk index(mTc). The 0Tx and 1Tc are highly correlated (its R=0.987 7)with the standard entropies of 88 haloalkanes. This correlativity is better than that of Kier′s 0xv and 1xv  (its R is only equal to 0.759 7).

参考文献/References:

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[2] 丁言斌,曹加胜,王连生.芳香族醛酮化合物溶解度和分配系数的测定与估算.环境化学,1999,18(6):543~547
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[5] Kier L B,Hall H.Molecular connectivity in chemistry and drug research.New York:Academic Press,1976.18~19
[6] 冯长君.用连接性指数估算与预测无机物晶格能.分子科学学报,1999,15(4):223~228
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[8] Wiener H.Structural determination of paraffin boiling points.J Amer Chem Soc,1947,69(1):17~21

相似文献/References:

[1]冯长君.分子树拓扑指数与卤代烷热力学性质的相关关系[J].东南大学学报(自然科学版),2001,31(5):85.[doi:10.3969/j.issn.1001-0505.2001.05.019]
 Feng Changjun.Correlative between Autocorrelation Topological Index of Molecular Tree and Thermodynamic Properties for Alkyl Halides[J].Journal of Southeast University (Natural Science Edition),2001,31(5):85.[doi:10.3969/j.issn.1001-0505.2001.05.019]

备注/Memo

备注/Memo:
第一作者:男,1954年生,教授.
更新日期/Last Update: 2000-09-20