Enantiomerically Pure Alleno-Acetylenic Macrocycles: Synthesis, Solid-State Structures, Chiroptical Properties, and Electron Localization Function Analysis

2010 ◽  
Vol 16 (32) ◽  
pp. 9796-9807 ◽  
Author(s):  
Pablo Rivera-Fuentes ◽  
José Lorenzo Alonso-Gómez ◽  
Ana G. Petrovic ◽  
Paul Seiler ◽  
Fabrizio Santoro ◽  
...  
Keyword(s):  
Solid State ◽  
Function Analysis ◽  
Electron Localization Function ◽  
Electron Localization ◽  
Chiroptical Properties ◽  
Enantiomerically Pure ◽  
Localization Function ◽  
Solid State Structures

Hydrogen detachment driven by a repulsive 1πσ* state – an electron localization function study of 3-amino-1,2,4-triazole

2018 ◽  
Vol 20 (7) ◽  
pp. 5210-5216 ◽  
Author(s):  
Andrzej Bil ◽  
Zdzisław Latajka ◽  
Malgorzata Biczysko
Keyword(s):  
Function Analysis ◽  
Electron Localization Function ◽  
Electron Localization ◽  
Localization Function ◽  
Function Study ◽  
A Charge

Electron localization function analysis reveals the details of a charge induced hydrogen detachment mechanism of 3-amino-1,2,4-triazole, identified recently as responsible for phototautomerization of the molecule.

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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