๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Topological Analysis of the Electron Localization Function (ELF) Applied to the Electrophilic Aromatic Substitution

โœ Scribed by Fuster, Franck; Sevin, Alain; Silvi, Bernard

Book ID
111866377
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
243 KB
Volume
104
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Determination of substitutional sites in
Determination of substitutional sites in heterocycles from the topological analysis of the electron localization function (ELF)
โœ Fuster, Franck; Sevin, Alain; Silvi, Bernard ๐Ÿ“‚ Article ๐Ÿ“… 2000 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 614 KB

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

Fast topological analysis of 2D and 3D g
Fast topological analysis of 2D and 3D grids of data: Application to the atoms in molecule (AIM) and the electron localization function (ELF)
โœ Philippe Soler; Franck Fuster; Hilaire Chevreau ๐Ÿ“‚ Article ๐Ÿ“… 2004 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 180 KB

## Abstract The topological analysis of grids of data is used for determination of surfaces or volumes around maxima. The volumes are then related to chemical information such as atoms or bonds, and can be used for integration of local properties such as electronic population. The problem of global