Electronic and steric effects in nucleophilic aromatic substitution. Kinetic studies on the reactions between ethers and thioethers of 2,4-dinitrophenol and nucleophiles

1975 ◽  
Vol 40 (25) ◽  
pp. 3777-3778 ◽  
Author(s):  
G. Bartoli ◽  
P. E. Todesco ◽  
F. Ciminale ◽  
M. Fiorentino
Keyword(s):  
Kinetic Studies ◽  
Nucleophilic Aromatic Substitution ◽  
Steric Effects ◽  
Aromatic Substitution ◽  
Electronic And Steric Effects

scholarly journals Machine learning meets mechanistic modelling for accurate prediction of experimental activation energies

2021 ◽  
Author(s):  
Kjell Jorner ◽  
Tore Brinck ◽  
Per-Ola Norrby ◽  
David Buttar
Keyword(s):  
Machine Learning ◽  
Activation Energies ◽  
Accurate Prediction ◽  
Nucleophilic Aromatic Substitution ◽  
Aromatic Substitution ◽  
Mechanistic Modelling

Hybrid reactivity models, combining mechanistic calculations and machine learning with descriptors, are used to predict barriers for nucleophilic aromatic substitution.

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