Molecular connectivity relationships to electrostatic potential derived parameters

被引：7
|
作者：
Jalbout, AF
Zhou, ZY
Li, X
Solimannejad, M
Ma, Y
机构：
[1] Univ New Orleans, Dept Chem, New Orleans, LA 70148 USA
[2] Dillard Univ, Dept Phys, New Orleans, LA 70112 USA
[3] EJMAPS Org, Metairie, LA 70005 USA
[4] Shandong Univ, Shandong State Key Lab Crystal Mat, Jinan 250100, Peoples R China
[5] Qufu Normal Univ, Dept Chem, Qufu, Peoples R China
来源：
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 2003年 / 664卷
关键词：
shape index; volume; application; surface electrostatic potential;
D O I：
10.1016/S0166-1280(03)00476-7
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Generally, non-covalent interactions depend on both surface electrostatic potential and the shape of molecules. For precise expression, other shape indices should be used. Until now, we have developed some useful ones that will be further developed in due course. (C) 2003 Published by Elsevier B.V.
引用
收藏
页码：15 / 19
页数：5
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