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The Topological Analysis of the Electron Localization Function. A Key for a Position Space Representation of Chemical Bonds

✍ Scribed by Bernard Silvi; Isabelle Fourré; Mohammad E. Alikhani


Publisher
Springer Vienna
Year
2005
Tongue
English
Weight
297 KB
Volume
136
Category
Article
ISSN
0026-9247

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Application of the topological analysis
✍ Marie-Céline van Severen; Christophe Gourlaouen; Olivier Parisel 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 243 KB

## Abstract The coordination of neutral ligands (L = __O__C, HC__N__, __N__H~3~, __P__H~3~, __S__H~2~, HNC__O__ and H~2~__O__) to Pb^2+^ is investigated and analyzed by means of the topological analysis of the Electronic Localization Function (ELF). It is shown that the mean charge density of the _