Better Understanding of the Ring-Cleavage Process of Cyanocyclopropyl Anionic Derivatives. A Theoretical Study Based on the Electron Localization Function

2006 ◽  
Vol 71 (2) ◽  
pp. 754-762 ◽  
Author(s):  
Victor Polo ◽  
Luis R. Domingo ◽  
Juan Andrés
Keyword(s):  
Theoretical Study ◽  
Electron Localization Function ◽  
Ring Cleavage ◽  
Electron Localization ◽  
Localization Function ◽  
Cleavage Process

A Theoretical Study on the Reaction Mechanism for the Bergman Cyclization from the Perspective of the Electron Localization Function and Catastrophe Theory

2005 ◽  
Vol 109 (16) ◽  
pp. 3687-3693 ◽  
Author(s):  
Juan C. Santos ◽  
Juan Andres ◽  
Arie Aizman ◽  
Patricio Fuentealba ◽  
Victor Polo
Keyword(s):  
Reaction Mechanism ◽  
Catastrophe Theory ◽  
Theoretical Study ◽  
Electron Localization Function ◽  
Electron Localization ◽  
Bergman Cyclization ◽  
Localization Function

A theoretical study of the bonding in NO, (NO)2, (NO)2−and (NO)22−using a topological analysis of the electron localization function

2004 ◽  
Vol 6 (13) ◽  
pp. 3228-3234 ◽  
Author(s):  
Franck Fuster ◽  
Christine Dézarnaud-Dandine ◽  
Hilaire Chevreau ◽  
Alain Sevin
Keyword(s):  
Theoretical Study ◽  
Topological Analysis ◽  
Electron Localization Function ◽  
Electron Localization ◽  
Localization Function

A Theoretical Study of the Bonding in NO, (NO)2, (NO)-2 and (NO)2-2 Using a Topological Analysis of the Electron Localization Function.

ChemInform ◽  
2004 ◽  
Vol 35 (41) ◽  
Author(s):  
Franck Fuster ◽  
Christine Dezarnaud-Dandine ◽  
Hilaire Chevreau ◽  
Alain Sevin
Keyword(s):  
Theoretical Study ◽  
Topological Analysis ◽  
Electron Localization Function ◽  
Electron Localization ◽  
Localization Function

scholarly journals Electron localization function implementation in the exact muffin-tin orbitals method

2021 ◽  
Vol 103 (3) ◽  
Author(s):  
H. Levämäki ◽  
L. Vitos
Keyword(s):  
Electron Localization Function ◽  
Electron Localization ◽  
Localization Function

scholarly journals On the Importance of Clar Structures of Polybenzenoid Hydrocarbons as Revealed by the π-Contribution to the Electron Localization Function

Symmetry ◽  
2010 ◽  
Vol 2 (3) ◽  
pp. 1653-1682 ◽  
Author(s):  
Jun Zhu ◽  
Christian Dahlstrand ◽  
Joshua R. Smith ◽  
Sébastien Villaume ◽  
Henrik Ottosson
Keyword(s):  
Electron Localization Function ◽  
Electron Localization ◽  
Localization Function ◽  
Clar Structures
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