Mechanism and Kinetics of the Reaction of Nitrosamines with OH Radical: A Theoretical Study

2017 ◽  
Vol 49 (5) ◽  
pp. 339-353 ◽  
Author(s):  
S. Ponnusamy ◽  
L. Sandhiya ◽  
K. Senthilkumar
Keyword(s):  
Theoretical Study ◽  
Oh Radical ◽  
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.

Theoretical study on the reaction mechanism of OH radical with Z(E)-CF3CHCHF

2019 ◽  
Vol 21 (3) ◽  
pp. 1367-1374 ◽  
Author(s):  
Chao Xu ◽  
Chaoyang Wang ◽  
Bo Li ◽  
Linping Hu ◽  
Feng Long Gu
Keyword(s):  
Reaction Mechanism ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Theoretical Study ◽  
Oh Radicals ◽  
Oh Radical ◽  
Transformation Mechanism ◽  
Mechanism And Kinetics ◽  
Kinetics Of

The comprehensive transformation mechanism and kinetics of Z(E)-CF3CHCHF initiated by OH radicals were investigated by performing quantum chemical calculations.

A Theoretical Study of the Mechanism and Kinetics of F+N3 Reactions

ChemPhysChem ◽  
2006 ◽  
Vol 7 (8) ◽  
pp. 1786-1794 ◽  
Author(s):  
Haitao Ma ◽  
Xiaojun Liu ◽  
Wensheng Bian ◽  
Lingpeng Meng ◽  
Shijun Zheng
Keyword(s):  
Theoretical Study ◽  
Mechanism And Kinetics ◽  
Kinetics Of

Theoretical Study of Mechanism and Kinetics of the Reaction of NO2with s-Triazine

2016 ◽  
Vol 41 (6) ◽  
pp. 987-993
Author(s):  
Ji-Dong Zhang ◽  
Li-Hua Kang ◽  
Xin-Lu Cheng
Keyword(s):  
Theoretical Study ◽  
Mechanism And Kinetics ◽  
Kinetics Of
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