Correction to “Ab Initio Reaction Kinetics of Hydrogen Abstraction from Methyl Formate by Hydrogen, Methyl, Oxygen, Hydroxyl, and Hydroperoxy Radicals”

2015 ◽  
Vol 119 (10) ◽  
pp. 2186-2186 ◽  
Author(s):  
Ting Tan ◽  
Michele Pavone ◽  
David B. Krisiloff ◽  
Emily A. Carter
Keyword(s):  
Ab Initio ◽  
Reaction Kinetics ◽  
Methyl Formate ◽  
Hydrogen Abstraction ◽  
Kinetics Of

Ab Initio Study on the Kinetics of Hydrogen Abstraction for the H + Alkene → H2+ Alkenyl Reaction Class

2007 ◽  
Vol 111 (11) ◽  
pp. 2156-2165 ◽  
Author(s):  
Lam K. Huynh ◽  
Sylwester Panasewicz ◽  
Artur Ratkiewicz ◽  
Thanh N. Truong
Keyword(s):  
Ab Initio ◽  
Hydrogen Abstraction ◽  
Ab Initio Study ◽  
Kinetics Of

scholarly journals Ab initio pressure-dependent reaction kinetics of methyl propanoate radicals

2015 ◽  
Vol 17 (46) ◽  
pp. 31061-31072 ◽  
Author(s):  
Ting Tan ◽  
Xueliang Yang ◽  
Yiguang Ju ◽  
Emily A. Carter
Keyword(s):  
Ab Initio ◽  
Master Equation ◽  
Reaction Kinetics ◽  
Unimolecular Dissociation ◽  
High Level ◽  
Kinetics Of ◽  
Methyl Propanoate

The unimolecular dissociation and isomerization kinetics of the three methyl propanoate (MP) radicals, CH3CH2C(O)OĊH2 (MP-m), CH3ĊHC(O)OCH3 (MP-α), and ĊH2CH2C(O)OCH3 (MP-β), are theoretically investigated using high-level ab initio methods and the Rice–Ramsperger–Kassel–Marcus (RRKM)/master equation (ME) theory.

Reaction Kinetics of CO + HO2→ Products:  Ab Initio Transition State Theory Study with Master Equation Modeling†

2007 ◽  
Vol 111 (19) ◽  
pp. 4031-4042 ◽  
Author(s):  
Xiaoqing You ◽  
Hai Wang ◽  
Elke Goos ◽  
Chih-Jen Sung ◽  
Stephen J. Klippenstein
Keyword(s):  
Transition State ◽  
Ab Initio ◽  
Master Equation ◽  
Reaction Kinetics ◽  
Transition State Theory ◽  
State Theory ◽  
Equation Modeling ◽  
Kinetics Of

Energetics and kinetics of various cyano radical hydrogen abstractions

2021 ◽  
Vol 23 (5) ◽  
pp. 3389-3400
Author(s):  
Alexandra D. Burke ◽  
Michael C. Bowman ◽  
Justin M. Turney ◽  
Henry F. Schaefer
Keyword(s):  
Ab Initio ◽  
Rate Constants ◽  
Hydrogen Abstraction ◽  
Cyano Radical ◽  
Kinetics Of

Accurate energetics and rate constants have been obtained for various hydrogen abstraction reactions by the cyano radical using highly accurate ab initio methods.

Pressure-dependent kinetics of methyl formate reactions with OH at combustion, atmospheric and interstellar temperatures

2018 ◽  
Vol 20 (41) ◽  
pp. 26190-26199 ◽  
Author(s):  
Junjun Wu ◽  
Hongbo Ning ◽  
Liuhao Ma ◽  
Wei Ren
Keyword(s):  
Pressure Dependence ◽  
Methyl Formate ◽  
Hydrogen Abstraction ◽  
Kinetics Of

Pressure dependence occurs in bimolecular hydrogen abstraction reactions at combustion, atmospheric and interstellar temperatures.

Reaction kinetics of hydrogen addition reactions to methyl butenoate

2020 ◽  
Vol 22 (9) ◽  
pp. 5286-5292
Author(s):  
Yage Gao ◽  
Xiaoyu Li ◽  
Xiaoqing You
Keyword(s):  
Reaction Kinetics ◽  
Chemical Kinetics ◽  
Rate Constants ◽  
Methyl Esters ◽  
Hydrogen Abstraction ◽  
Addition Reactions ◽  
Hydrogen Addition ◽  
Kinetics Of

We study the chemical kinetics of hydrogen addition reactions of unsaturated methyl esters, methyl 2-butenoate and methyl 3-butenoate, and compare the rate constants with those of hydrogen abstraction reactions by H atom.

Sign in / Sign up

Export Citation Format

Share Document