TOPOGRAPHY OF APPROXIMATE MOLECULAR ELECTROSTATIC POTENTIALS

被引：0
|
作者：
JUG, K
KOLLE, C
机构：
来源：
PROCEEDINGS OF THE INDIAN ACADEMY OF SCIENCES-CHEMICAL SCIENCES | 1994年 / 106卷 / 02期
关键词：
TOPOGRAPHY; MOLECULAR ELECTROSTATIC POTENTIALS;
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A new method is described for the approximation of the molecular electrostatic potential (MESP). This method is used for the study of the topography of small molecules. The critical points of the approximate and the exact MESP are compared. It is found that most of the critical points of the exact MESP are retained, but in regions where the exact MESP changes slowly near critical points the number of critical points of the approximate MESP can be reduced.
引用
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页码：283 / 302
页数：20
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