Mechanism and Kinetics of the Reaction of OH Radicals with Glyoxal and Methylglyoxal: A Quantum Chemistry+CVT/SCT Approach

ChemPhysChem ◽  
2004 ◽  
Vol 5 (9) ◽  
pp. 1379-1388 ◽  
Author(s):  
Annia Galano ◽  
J. Raúl Alvarez-Idaboy ◽  
Ma. Esther Ruiz-Santoyo ◽  
Annik Vivier-Bunge
Keyword(s):  
Quantum Chemistry ◽  
Oh Radicals ◽  
Mechanism And Kinetics ◽  
Kinetics Of

Quantum chemistry and TST study of the mechanism and kinetics of the butadiene and isoprene reactions with mercapto radicals

2008 ◽  
Vol 344 (3) ◽  
pp. 273-280 ◽  
Author(s):  
Misaela Francisco-Márquez ◽  
J. Raul Alvarez-Idaboy ◽  
Annia Galano ◽  
Annik Vivier-Bunge
Keyword(s):  
Quantum Chemistry ◽  
Mechanism And Kinetics ◽  
Kinetics Of

Quantum Chemistry and Computational Kinetics of the Reaction between OH Radicals and Formaldehyde Adsorbed on Small Silica Aerosol Models

2008 ◽  
Vol 112 (12) ◽  
pp. 4590-4600 ◽  
Author(s):  
Cristina Iuga ◽  
Annik Vivier-Bunge ◽  
Alfonso Hernández-Laguna ◽  
C. Ignacio Sainz-Díaz
Keyword(s):  
Quantum Chemistry ◽  
Oh Radicals ◽  
Kinetics Of

Investigation of the Reaction Mechanism and Kinetics of Iodic Acid with OH Radical Using Quantum Chemistry

2017 ◽  
Vol 1 (4) ◽  
pp. 227-235 ◽  
Author(s):  
Sarah Khanniche ◽  
Florent Louis ◽  
Laurent Cantrel ◽  
Ivan Černušák
Keyword(s):  
Reaction Mechanism ◽  
Quantum Chemistry ◽  
Oh Radical ◽  
Iodic Acid ◽  
Mechanism And Kinetics ◽  
Kinetics Of

The atmospheric oxidation mechanism and kinetics of 1,3,5-trimethylbenzene initiated by OH radicals – a theoretical study

2017 ◽  
Vol 41 (18) ◽  
pp. 10259-10271 ◽  
Author(s):  
S. Ponnusamy ◽  
L. Sandhiya ◽  
K. Senthilkumar
Keyword(s):  
Theoretical Study ◽  
Oxidation Mechanism ◽  
Peroxy Radical ◽  
Ring Closure ◽  
Oh Radicals ◽  
Oh Radical ◽  
Radical Ring ◽  
Atmospheric Fate ◽  
Mechanism And Kinetics ◽  
Kinetics Of

The atmospheric fate of 1,3,5-trimethylbenzene is determined by OH-radical addition, and subsequent bicyclic peroxy radical ring closure and ring breaking pathways.

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