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Topological analysis of the electron localization function applied to delocalized bonds

โœ Scribed by Savin, A.; Silvi, B.; Coionna, F.

Book ID
118261258
Publisher
NRC Research Press
Year
1996
Tongue
French
Weight
589 KB
Volume
74
Category
Article
ISSN
0008-4042

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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