Electron affinities and activation energies for reactions with thermal electrons:SF6andSF5

2007 ◽  
Vol 76 (3) ◽  
Author(s):  
E. C. M. Chen ◽  
E. S. Chen
Keyword(s):  
Activation Energies ◽  
Electron Affinities

Adiabatic electron affinities of PF5 and SF6: a coupled-cluster study

1998 ◽  
Vol 94 (1) ◽  
pp. 121-125 ◽  
Author(s):  
Gennady GUTSEV ◽  
RODNEY BARTLETT
Keyword(s):  
Coupled Cluster ◽  
Electron Affinities

Deep level study in epitaxial 4H-SiC grown on substrates inclined toward

2002 ◽  
Vol 719 ◽  
Author(s):  
Masashi Kato ◽  
Masaya Ichimura ◽  
Eisuke Arai ◽  
Shigehiro Nishino
Keyword(s):  
Deep Level Transient Spectroscopy ◽  
Deep Level ◽  
Activation Energies ◽  
Thickness Dependence ◽  
Epitaxial Layers ◽  
Transient Spectroscopy

AbstractEpitaxial layers of 4H-SiC are grown on (0001) substrates inclined toward <1120> and <1100> directions. Defects in these films are characterized by deep level transient spectroscopy (DLTS) in order to clarify the dependence of concentrations and activation energies on substrate inclination. DLTS results show no such dependence on substrate inclination but show thickness dependence of the concentration.

Activation energies of technological termodonors in neutron doped silicon

2015 ◽  
Vol 19 (1/2) ◽  
Author(s):  
L. I. Panasjuk ◽  
V. V. Kolomoets ◽  
V. N. Ermakov ◽  
S. A. Fedosov ◽  
L. V. Yashchynskiy
Keyword(s):  
Activation Energies ◽  
Doped Silicon

Kinetics of esterification of monoisopropylphenols with phosphoryl trichloride

1989 ◽  
Vol 54 (5) ◽  
pp. 1311-1317
Author(s):  
Miroslav Magura ◽  
Ján Vojtko ◽  
Ján Ilavský
Keyword(s):  
Liquid Phase ◽  
Rate Constants ◽  
Reaction Rates ◽  
Activation Energies ◽  
The Individual ◽  
Kinetics Of

The kinetics of liquid-phase isothermal esterification of POCl3 with 2-isopropylphenol and 4-isopropylphenol have been studied within the temperature intervals of 110 to 130 and 90 to 110 °C, respectively. The rate constants and activation energies of the individual steps of this three-step reaction have been calculated from the values measured. The reaction rates of the two isomers markedly differ: at 110 °C 4-isopropylphenol reacts faster by the factors of about 7 and 20 for k1 and k3, respectively. This finding can be utilized in preparation of mixed triaryl phosphates, since the alkylation mixture after reaction of phenol with propene contains an excess of 2-isopropylphenol over 4-isopropylphenol.

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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