DFT study on abstraction reaction mechanism of oh radical with 2-methoxyphenol

2017 ◽  
Vol 30 (12) ◽  
pp. e3713 ◽  
Author(s):  
Angappan Mano Priya ◽  
Senthilkumar Lakshmipathi
Keyword(s):  
Reaction Mechanism ◽  
Dft Study ◽  
Oh Radical ◽  
Abstraction Reaction

DFT study on addition reaction mechanism of guanine-cytosine base pair with OH radical

2015 ◽  
Vol 28 (6) ◽  
pp. 437-444 ◽  
Author(s):  
Minjie Li ◽  
Ling Diao ◽  
Xiaofei Liao ◽  
Li Kou ◽  
Wencong Lu
Keyword(s):  
Reaction Mechanism ◽  
Base Pair ◽  
Addition Reaction ◽  
Dft Study ◽  
Oh Radical

Relativistic DFT Study on the Reaction Mechanism of Second-Row Transition Metal Ru with CO2

2006 ◽  
Vol 110 (10) ◽  
pp. 3552-3558 ◽  
Author(s):  
Xian-Yang Chen ◽  
Yi-Xin Zhao ◽  
Shu-Guang Wang
Keyword(s):  
Reaction Mechanism ◽  
Transition Metal ◽  
Dft Study ◽  
Relativistic Dft

Carbonylative Cycloaddition of Allyl Halides and Acetylenes Promoted by Ni(CO)4. A DFT Study on the Reaction Mechanism

2000 ◽  
Vol 19 (18) ◽  
pp. 3516-3526 ◽  
Author(s):  
Jorge J. Carbó ◽  
Carles Bo ◽  
Josep M. Poblet ◽  
Josep M. Moretó
Keyword(s):  
Reaction Mechanism ◽  
Dft Study ◽  
Allyl Halides

scholarly journals The C-H Bond Dissociation Enthalpies and Estimation of the Kinetics of Hydrogen Abstraction by OH radical for Fluorinated Formates: A DFT Study

2001 ◽  
Vol 2 ◽  
pp. 45-51 ◽  
Author(s):  
Shingo Urata ◽  
Tadafumi Uchimaru ◽  
Asit K. Chandra ◽  
Akira Takada ◽  
Akira Sekiya
Keyword(s):  
Hydrogen Abstraction ◽  
Dft Study ◽  
Oh Radical ◽  
Bond Dissociation ◽  
Kinetics Of

scholarly journals Theoretical study on Reaction Mechanism of methylene amidogen H2CN with OH radical

2020 ◽  
Vol 545 ◽  
pp. 012023
Author(s):  
Jing-Lin Pang ◽  
Yue-Mei Wang ◽  
Xian-Ming Zhang ◽  
Yu-Peng Hua ◽  
Zhen Wu ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Theoretical Study ◽  
Oh Radical

DFT Study of deNOxReactions in the Gas Phase: Mimicking the Reaction Mechanism over BaNaY Zeolites

2009 ◽  
Vol 113 (24) ◽  
pp. 6730-6739 ◽  
Author(s):  
Chun-Yi Sung ◽  
Randall Q. Snurr ◽  
Linda J. Broadbelt
Keyword(s):  
Reaction Mechanism ◽  
Gas Phase ◽  
Dft Study
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