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Molecular descriptors of topology and a study on quantitative structure and property relationships

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成果类型:
期刊论文
作者:
Zhou, Congyi*;Nie, Changming
通讯作者:
Zhou, Congyi
作者机构:
[Zhou, Congyi] Nanhua Univ, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
Univ Montana, Dept Chem, Missoula, MT 59812 USA.
Waseda Univ, Sch Sci & Engn, Dept Appl Chem, Shinjuku Ku, Tokyo 1698555, Japan.
通讯机构:
[Zhou, Congyi] N
Nanhua Univ, Sch Chem & Chem Engn, Hengyang 421001, Peoples R China.
语种:
英文
期刊:
Bulletin of the Chemical Society of Japan
ISSN:
0009-2673
年:
2007
卷:
80
期:
8
页码:
1504-1510
机构署名:
本校为第一且通讯机构
院系归属:
化学化工学院
摘要:
The novel topological descriptor PE was proposed, using a revised distance matrix involving relative bond length as well as equilibrium electronegativity. Along with PE, the quantitative structure-property relationships were included with path number P3. The analyzed models could be applicable to the condensed-type properties of hydrocarbons. Moreover, the models also were applicable to the Kováts retention indexes under different ...

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