Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by 3O2; Implications for Combustion Modeling and Simulation

2017 ◽  
Vol 121 (9) ◽  
pp. 1890-1899 ◽  
Author(s):  
Chong-Wen Zhou ◽  
John M. Simmie ◽  
Kieran P. Somers ◽  
C. Franklin Goldsmith ◽  
Henry J. Curran
Keyword(s):  
Hydrogen Atom ◽  
Modeling And Simulation ◽  
Chemical Kinetics ◽  
Hydrogen Atom Abstraction ◽  
Combustion Modeling ◽  
Kinetics Of

Reaction kinetics of hydrogen atom abstraction from isopentanol by the H atom and HO2˙ radical

2018 ◽  
Vol 20 (16) ◽  
pp. 10895-10905
Author(s):  
Prajakta Rajaram Parab ◽  
K. Alexander Heufer ◽  
Ravi Xavier Fernandes
Keyword(s):  
Hydrogen Atom ◽  
Transition State ◽  
Reaction Kinetics ◽  
Hydrogen Atom Abstraction ◽  
Abstraction Reaction ◽  
Kinetics Of ◽  
Ho2 Radical

The formation of the transition state for the H-abstraction reaction from isopentanol by the HO2˙ radical.

scholarly journals Kinetics of Hydrogen Atom Abstraction from Substrate by an Active Site Thiyl Radical in Ribonucleotide Reductase

2014 ◽  
Vol 136 (46) ◽  
pp. 16210-16216 ◽  
Author(s):  
Lisa Olshansky ◽  
Arturo A. Pizano ◽  
Yifeng Wei ◽  
JoAnne Stubbe ◽  
Daniel G. Nocera
Keyword(s):  
Hydrogen Atom ◽  
Ribonucleotide Reductase ◽  
Active Site ◽  
Hydrogen Atom Abstraction ◽  
Thiyl Radical ◽  
Kinetics Of

Ab initio-based kinetics of hydrogen atom abstraction from methyl propionate by H and CH3 radicals: a biodiesel model

2021 ◽  
Author(s):  
Jamelah S. Al-Otaibi ◽  
Mohamed A. M. Mahmoud ◽  
Aljawhara H. Almuqrin ◽  
Tarek M. El-Gogary ◽  
Mohamed A. Abdel-Rahman ◽  
...  
Keyword(s):  
Hydrogen Atom ◽  
Ab Initio ◽  
Hydrogen Atom Abstraction ◽  
Methyl Propionate ◽  
Kinetics Of

Chemical Kinetics of H-Atom Abstraction from Ethanol by HȮ2: Implication for Combustion Modeling

2019 ◽  
Vol 123 (5) ◽  
pp. 971-982 ◽  
Author(s):  
Qian Zhao ◽  
Yingjia Zhang ◽  
Wuchuan Sun ◽  
Fuquan Deng ◽  
Feiyu Yang ◽  
...  
Keyword(s):  
Chemical Kinetics ◽  
Combustion Modeling ◽  
Kinetics Of

Ab initio kinetics studies of hydrogen atom abstraction from methyl propanoate

2016 ◽  
Vol 18 (6) ◽  
pp. 4594-4607 ◽  
Author(s):  
Ting Tan ◽  
Xueliang Yang ◽  
Yiguang Ju ◽  
Emily A. Carter
Keyword(s):  
Hydrogen Atom ◽  
Ab Initio ◽  
Hydrogen Abstraction ◽  
Hydrogen Atom Abstraction ◽  
Kinetics Studies ◽  
Kinetics Of ◽  
Methyl Propanoate

The kinetics of hydrogen abstraction by five radicals (H, CH3, O(3P), OH, and HO2) from a biodiesel surrogate, methyl propanoate (MP), is theoretically investigated.

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