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The Bonding Nature of Some Simple Sigmatropic Transition States from the Topological Analysis of the Electron Localization Function

✍ Scribed by Chamorro, Eduardo; Santos, Juan C.; Gómez, Badhin; Contreras, Renato; Fuentealba, Patricio

Book ID
127105911
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
325 KB
Volume
106
Category
Article
ISSN
1089-5639

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The topological analysis of the electron localization function ELF has been carried out on five-membered (C 4 H 4 NH, C 4 H 4 PH, C 4 H 4 O, C 4 H 4 S) and six-membered (C 5 H 5 N, C 5 H 5 P) heterocycles. The bonding in these molecules is discussed on the basis of the valence basin populations. It