## Abstract Several definitions of an atom in a molecule (AIM) in three‐dimensional (3D) space, including both fuzzy and disjoint domains, are used to calculate electron sharing indices (ESI) and related electronic aromaticity measures, namely, __I__~ring~ and multicenter indices (MCI), for a wide
✦ LIBER ✦
Electron Delocalization and Aromaticity in Linear Polyacenes: Atoms in Molecules Multicenter Delocalization Index
✍ Scribed by Bultinck, Patrick; Rafat, Michel; Ponec, Robert; Van Gheluwe, Bart; Carbó-Dorca, Ramon; Popelier, Paul
- Book ID
- 118135804
- Publisher
- American Chemical Society
- Year
- 2006
- Tongue
- English
- Weight
- 89 KB
- Volume
- 110
- Category
- Article
- ISSN
- 1089-5639
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Performance of 3D-space-based atoms-in-m
✍
Wouter Heyndrickx; Pedro Salvador; Patrick Bultinck; Miquel Solà; Eduard Matito
📂
Article
📅
2010
🏛
John Wiley and Sons
🌐
English
⚖ 214 KB
Electron localization and delocalization
✍
Xavier Fradera; Miquel Solà
📂
Article
📅
2002
🏛
John Wiley and Sons
🌐
English
⚖ 114 KB
## Abstract Localization and delocalization indices derived in the framework of the quantum Atoms in Molecules theory have recently been used to analyze the electron‐pair structure of closed‐shell molecules. Here we report calculations of localization and delocalization indices for open‐shell molec
Analysis of Electron Delocalization in A
✍
Güell, Mireia; Matito, Eduard; Luis, Josep M.; Poater, Jordi; Solà, Miquel
📂
Article
📅
2006
🏛
American Chemical Society
🌐
English
⚖ 310 KB
Local Aromaticity in Polycyclic Aromatic
✍
Patrick Bultinck; Stijn Fias; Robert Ponec
📂
Article
📅
2006
🏛
John Wiley and Sons
🌐
English
⚖ 110 KB
Electron delocalization and aromaticity
✍
Afshan Mohajeri; Nazanin Davari
📂
Article
📅
2010
🏛
Springer
🌐
English
⚖ 441 KB
Theoretical Evaluation of Electron Deloc
✍
Jordi Poater; Miquel Duran; Miquel Sola; Bernard Silvi
📂
Article
📅
2006
🏛
John Wiley and Sons
⚖ 8 KB