Point charges and the molecular electrostatic potential
- 1 January 1986
- journal article
- research article
- Published by Taylor & Francis in International Reviews in Physical Chemistry
- Vol. 5 (2-3), 115-120
- https://doi.org/10.1080/01442358609353371
Abstract
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 emphasizedKeywords
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