Chemical reactions in solution: modelling of the delay of solvent synchronism (dielectric friction) along the reaction path of an SN2 reaction

1993 ◽  
Vol 174 (3) ◽  
pp. 397-407 ◽  
Author(s):  
M. Aguilar ◽  
R. Bianco ◽  
S. Miertus ◽  
M. Persico ◽  
J. Tomasi
Keyword(s):  
Chemical Reactions ◽  
Reaction Path ◽  
Dielectric Friction ◽  
Sn2 Reaction

scholarly journals Concurrent Phenomena at the Reaction Path of the SN2 Reaction CH3Cl + F−. Information Planes and Statistical Complexity Analysis

Entropy ◽  
2013 ◽  
Vol 15 (12) ◽  
pp. 4084-4104 ◽  
Author(s):  
Moyocoyani Molina-Espíritu ◽  
Rodolfo Esquivel ◽  
Juan Angulo ◽  
Jesús Dehesa
Keyword(s):  
Complexity Analysis ◽  
Reaction Path ◽  
Statistical Complexity ◽  
Sn2 Reaction

Gradient Line Reaction Path for an SN2 Reaction at Neutral Nitrogen

1994 ◽  
Vol 98 (33) ◽  
pp. 7942-7944 ◽  
Author(s):  
Ruslan M. Minyaev ◽  
David J. Wales
Keyword(s):  
Reaction Path ◽  
Sn2 Reaction ◽  
Gradient Line

Do chemical reactions react along the reaction path?

1988 ◽  
Vol 110 (10) ◽  
pp. 3063-3068 ◽  
Author(s):  
B. Hartke ◽  
J. Manz
Keyword(s):  
Chemical Reactions ◽  
Reaction Path

scholarly journals Inquiry of the electron density transfers in chemical reactions: a complete reaction path for the denitrogenation process of 2,3-diazabicyclo[2.2.1]hept-2-ene derivatives

2015 ◽  
Vol 17 (48) ◽  
pp. 32358-32374 ◽  
Author(s):  
Vicent S. Safont ◽  
Patricio González-Navarrete ◽  
Mónica Oliva ◽  
Juan Andrés
Keyword(s):  
Electron Density ◽  
Chemical Reactions ◽  
Reaction Path ◽  
Complete Reaction ◽  
Insight Into

Unprecedented insight into the mapping of the electrons making/breaking the bonds in the DBH and DBOH denitrogenation processes.

scholarly journals Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation

2016 ◽  
Vol 52 (53) ◽  
pp. 8183-8195 ◽  
Author(s):  
Juan Andrés ◽  
Sławomir Berski ◽  
Bernard Silvi
Keyword(s):  
Electron Density ◽  
Chemical Reactions ◽  
Chemical Reaction ◽  
Reaction Mechanisms ◽  
Electron Pair ◽  
Reaction Path ◽  
Electron Localization ◽  
Valence Shell ◽  
Localization Function ◽  
Chemical Reaction Mechanisms

The displacement of the nuclei along the reaction path provides an explanatory interpretation of the electron density transfers making possible to understand chemical reactions.

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