Quantum Chemistry, Reaction Kinetics, and Tunneling Effects in the Reaction of Methoxy Radicals with O2

2013 ◽  
Vol 117 (51) ◽  
pp. 14230-14242 ◽  
Author(s):  
Hongyi Hu ◽  
Theodore S. Dibble
Keyword(s):  
Quantum Chemistry ◽  
Reaction Kinetics ◽  
Methoxy Radicals

Quantum Chemistry Investigation of Secondary Reaction Kinetics in Acrylate-Based Copolymers

2013 ◽  
Vol 117 (21) ◽  
pp. 4358-4366 ◽  
Author(s):  
Danilo Cuccato ◽  
Evangelos Mavroudakis ◽  
Davide Moscatelli
Keyword(s):  
Quantum Chemistry ◽  
Reaction Kinetics ◽  
Secondary Reaction

scholarly journals Atmospheric oxidation reactions of imidazole initiated by hydroxyl radicals: kinetics and mechanism of reactions and atmospheric implications

2019 ◽  
Vol 21 (16) ◽  
pp. 8445-8456 ◽  
Author(s):  
Zahra Safaei ◽  
Abolfazl Shiroudi ◽  
Ehsan Zahedi ◽  
Mika Sillanpää
Keyword(s):  
Quantum Chemistry ◽  
Transition State ◽  
Reaction Kinetics ◽  
Hydroxyl Radicals ◽  
Transition State Theory ◽  
Oxidation Mechanism ◽  
State Theory ◽  
Atmospheric Oxidation ◽  
Oxidation Reactions ◽  
Quantum Chemistry Calculations

The atmospheric oxidation mechanism of imidazole initiated by hydroxyl radicals is investigated via OH-addition and H-abstraction pathways by quantum chemistry calculations at the M06-2X/aug-cc-pVTZ level of theory coupled with reaction kinetics calculations using statistical Rice–Ramsperger–Kassel–Marcus (RRKM) theory and transition state theory (TST).

Study of C2H5O2 using modulated photolysis: ultra-violet spectrum and self-reaction kinetics in the temperature range 233-363 K

1997 ◽  
Vol 94 ◽  
pp. 484-502
Author(s):  
S Fauvet ◽  
JP Ganne ◽  
J Brion ◽  
D Daumont ◽  
J Malicet ◽  
...  
Keyword(s):  
Reaction Kinetics ◽  
Ultra Violet ◽  
Temperature Range

Quantum Chemistry.

1958 ◽  
Vol 17 (3_4) ◽  
pp. 279-280
Author(s):  
Th. Förster
Keyword(s):  
Quantum Chemistry

Propagators in Quantum Chemistry

1975 ◽  
Vol 95 (4-6) ◽  
pp. 318-319
Author(s):  
W. A. Bingel
Keyword(s):  
Quantum Chemistry

SYNTHESIS AND REACTION KINETICS STUDY OF TRI PHENYL PHOSPHITE

2019 ◽  
Vol 2 (2) ◽  
pp. 99-106
Author(s):  
Satish M. Mane ◽  
M. Praharaj Bhatnagar ◽  
M. R. Sawant ◽  
B. N. Thorat
Keyword(s):  
Reaction Kinetics ◽  
Kinetics Study
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