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Point charges and the molecular electrostatic potential

 

作者: G.G. Hall,  

 

期刊: International Reviews in Physical Chemistry  （Taylor Available online 1986）
卷期: Volume 5, issue 2-3  

页码: 115-120

 

ISSN:0144-235X

 

年代: 1986

 

DOI:10.1080/01442358609353371

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

The topological features of the bare nuclei potential are described in detail. The significance of the impossibility of it having a minimum is discussed. The molecular electrostatic potential and its representation using point charges is then described. The need to have some charges off the nuclei to represent lone pairs and bent bonds is emphasized

 

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