Insights into the chemical meanings of the reaction electronic flux

2015 ◽  
Vol 134 (11) ◽  
Author(s):  
Christophe Morell ◽  
Vincent Tognetti ◽  
Emmanuelle Bignon ◽  
Elise Dumont ◽  
Noemi Hernandez-Haro ◽  
...  
Keyword(s):  
Reaction Electronic Flux

The mechanism of methanol decomposition by CuO. A theoretical study based on the reaction force and reaction electronic flux analysis

2010 ◽  
Vol 17 (7) ◽  
pp. 1625-1633 ◽  
Author(s):  
Maria Luisa Cerόn ◽  
Barbara Herrera ◽  
Paulo Araya ◽  
Francisco Gracia ◽  
Alejandro Toro-Labbé
Keyword(s):  
Theoretical Study ◽  
Reaction Force ◽  
Methanol Decomposition ◽  
Flux Analysis ◽  
Reaction Electronic Flux

Symmetry-adapted reaction electronic flux in cycloaddition reactions

2016 ◽  
Vol 135 (8) ◽  
Author(s):  
Nery Villegas-Escobar ◽  
Stefan Vogt-Geisse ◽  
Soledad Gutiérrez-Oliva ◽  
Alejandro Toro-Labbé
Keyword(s):  
Cycloaddition Reactions ◽  
Reaction Electronic Flux

Reaction electronic flux and its role in DNA intramolecular proton transfers

2016 ◽  
Vol 22 (6) ◽  
Author(s):  
Rocío Durán ◽  
Esteban Vöhringer-Martinez ◽  
Alejandro Toro-Labbé ◽  
Bárbara Herrera
Keyword(s):  
Reaction Electronic Flux ◽  
Proton Transfers

The reaction electronic flux in chemical reactions

2011 ◽  
Vol 54 (12) ◽  
pp. 1982-1988 ◽  
Author(s):  
María Luisa Cerón ◽  
Eleonora Echegaray ◽  
Soledad Gutiérrez-Oliva ◽  
Bárbara Herrera ◽  
Alejandro Toro-Labbé
Keyword(s):  
Chemical Reactions ◽  
Reaction Electronic Flux

The Beckmann rearrangement in the framework of reaction electronic flux

2016 ◽  
Vol 136 (1) ◽  
Author(s):  
Santanab Giri ◽  
Ricardo Inostroza-Rivera ◽  
Madhurima Jana
Keyword(s):  
Beckmann Rearrangement ◽  
Reaction Electronic Flux

Chemical potential and reaction electronic flux in symmetry controlled reactions

2016 ◽  
Vol 37 (19) ◽  
pp. 1794-1800 ◽  
Author(s):  
Stefan Vogt-Geisse ◽  
Alejandro Toro-Labbé
Keyword(s):  
Chemical Potential ◽  
Reaction Electronic Flux

Effects of the ionization in the tautomerism of uracil: A reaction electronic flux perspective

2015 ◽  
Vol 36 (28) ◽  
pp. 2135-2145 ◽  
Author(s):  
Al Mokhtar Lamsabhi ◽  
Soledad Gutiérrez-Oliva ◽  
Otilia Mó ◽  
Alejandro Toro-Labbé ◽  
Manuel Yáñez
Keyword(s):  
Reaction Electronic Flux

The mechanism of Menshutkin reaction in gas and solvent phases from the perspective of reaction electronic flux

2014 ◽  
Vol 20 (9) ◽  
Author(s):  
Santanab Giri ◽  
Ricardo Inostroza-Rivera ◽  
Bárbara Herrera ◽  
Alvaro S. Núñez ◽  
Fernando Lund ◽  
...  
Keyword(s):  
Reaction Electronic Flux ◽  
Menshutkin Reaction
Sign in / Sign up

Export Citation Format

Share Document