scholarly journals A DFT study on the reaction mechanism between tetrachloro-o-benzoquinone and H2O2 and an alternative reaction approach to produce the hydroxyl radical

RSC Advances ◽  
2017 ◽  
Vol 7 (37) ◽  
pp. 22919-22926 ◽  
Author(s):  
Ping Li ◽  
Chao Guo ◽  
Wenling Feng ◽  
Qiao Sun ◽  
Weihua Wang
Keyword(s):  
Reaction Mechanism ◽  
Hydroxyl Radical ◽  
Dft Study ◽  
Alternative Approach

The reaction mechanism between tetrachloro-o-benzoquinone and H2O2 was studied theoretically and an alternative approach to produce the hydroxyl radical was proposed.

scholarly journals DFT Study on Reaction Mechanism of DNA Base Pair with Hydroxyl Radical

2013 ◽  
Vol 04 (03) ◽  
pp. 442-451 ◽  
Author(s):  
Eisuke Shimizu ◽  
Ryota Hoshino ◽  
Kazuya Nomura ◽  
Victor I. Danilov ◽  
Noriyuki Kurita
Keyword(s):  
Reaction Mechanism ◽  
Hydroxyl Radical ◽  
Base Pair ◽  
Dft Study ◽  
Dna Base ◽  
Dna Base Pair

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

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

DFT Study of the 1-Octene Metathesis Reaction Mechanism with WCl6/C Catalytic System

2008 ◽  
Vol 112 (20) ◽  
pp. 4636-4643 ◽  
Author(s):  
Dilek Yüksel ◽  
Bülent Düz ◽  
Fatma Sevin
Keyword(s):  
Reaction Mechanism ◽  
Catalytic System ◽  
Dft Study ◽  
Metathesis Reaction
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