A comprehensive quantum chemical study on the mechanism and kinetics of atmospheric reactions of 3-chloro-2-methyl-1-propene with OH radical

2019 ◽  
Vol 139 (1) ◽  
Author(s):  
R. Bhuvaneswari ◽  
K. Senthilkumar
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Oh Radical ◽  
Atmospheric Reactions ◽  
Mechanism And Kinetics ◽  
Kinetics Of

A quantum chemical study of the mechanisms and kinetics of the reaction between propargyl (C3H3) and methyl (CH3) radicals

2021 ◽  
Vol 762 ◽  
pp. 138126
Author(s):  
Tien V. Pham ◽  
Hoang T. Tue Trang ◽  
Cuong Tuan Ngo ◽  
Hue Minh Thi Nguyen
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Kinetics Of

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.

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