Reaction between the i-C4H5 radical and propargyl radical (C3H3): A theoretical study

2021 ◽  
Vol 768 ◽  
pp. 138407
Author(s):  
Endong Wang ◽  
Junxia Ding
Keyword(s):  
Theoretical Study ◽  
Propargyl Radical

Reaction between propargyl radical and 1,3-butadiene to form five to seven membered rings. Theoretical study

2016 ◽  
Vol 168 ◽  
pp. 331-341 ◽  
Author(s):  
Daniela Trogolo ◽  
Andrea Maranzana ◽  
Giovanni Ghigo ◽  
Glauco Tonachini
Keyword(s):  
Theoretical Study ◽  
Propargyl Radical

scholarly journals Theoretical study of the reaction mechanism and kinetics of the phenyl + propargyl association

2020 ◽  
Vol 22 (13) ◽  
pp. 6868-6880 ◽  
Author(s):  
Alexander N. Morozov ◽  
Alexander M. Mebel
Keyword(s):  
Reaction Mechanism ◽  
Energy Surface ◽  
Theoretical Study ◽  
Recombination Reaction ◽  
Propargyl Radical ◽  
Dependent Rate ◽  
Mechanism And Kinetics ◽  
Temperature And Pressure ◽  
High Level ◽  
Kinetics Of

Potential energy surface for the phenyl + propargyl radical recombination reaction has been studied using high-level ab initio calculations and temperature- and pressure-dependent rate constants and product yields have been computed employing RRKM-ME.

Theoretical Study on the Reaction of Nitric Oxide with Propargyl Radical

2019 ◽  
Vol 123 (5) ◽  
pp. 1015-1021 ◽  
Author(s):  
Xiaowen Wang ◽  
Jinou Song ◽  
Gang Lv ◽  
Zhijun Li
Keyword(s):  
Nitric Oxide ◽  
Theoretical Study ◽  
Propargyl Radical

Adsorption of H2O and H2S on the (100) surface of silicon. A theoretical study

1987 ◽  
Vol 84 ◽  
pp. 799-803 ◽  
Author(s):  
Vincenzo Barone ◽  
Francesco Lelj ◽  
Nino Russo ◽  
Marirosa Toscano
Keyword(s):  
Theoretical Study
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