scholarly journals DFT study on the interaction of Fullerene (C60) with hydroxyl radical (OH)

2011 ◽  
Vol 14 ◽  
pp. 139-142 ◽  
Author(s):  
Hiroto Tachikawa ◽  
Tetsuji Iyama ◽  
Shigeaki Abe
Keyword(s):  
Hydroxyl Radical ◽  
Fullerene C60 ◽  
Dft Study

scholarly journals An ESR and DFT study of hydration of the 2′-deoxyuridine-5-yl radical: a possible hydroxyl radical intermediate

2014 ◽  
Vol 50 (93) ◽  
pp. 14605-14608 ◽  
Author(s):  
Lidia Chomicz ◽  
Alex Petrovici ◽  
Ian Archbold ◽  
Amitava Adhikary ◽  
Anil Kumar ◽  
...  
Keyword(s):  
Hydroxyl Radical ◽  
Dft Study ◽  
Radical Intermediate

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

A DFT study on the addition and abstraction reactions of thiourea with hydroxyl radical

2017 ◽  
Vol 39 (1) ◽  
pp. 23-46 ◽  
Author(s):  
Mwadham. M. Kabanda ◽  
Kemoabetswe R. N. Serobatse
Keyword(s):  
Hydroxyl Radical ◽  
Dft Study

A DFT study on reaction of eupatilin with hydroxyl radical in solution

2012 ◽  
Vol 113 (7) ◽  
pp. 966-974 ◽  
Author(s):  
Minjie Li ◽  
Weixia Liu ◽  
Chunrong Peng ◽  
Qinghua Ren ◽  
Wencong Lu ◽  
...  
Keyword(s):  
Hydroxyl Radical ◽  
Dft Study

scholarly journals Hydroxyl Radical (OH•) Reaction with Guanine in an Aqueous Environment: A DFT Study

2011 ◽  
Vol 115 (50) ◽  
pp. 15129-15137 ◽  
Author(s):  
Anil Kumar ◽  
Venkata Pottiboyina ◽  
Michael D. Sevilla
Keyword(s):  
Hydroxyl Radical ◽  
Dft Study ◽  
Aqueous Environment

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 A DFT study on nanocones, nanotubes (4,0), nanosheets and fullerene C60 as anodes in Mg-ion batteries

RSC Advances ◽  
2019 ◽  
Vol 9 (2) ◽  
pp. 853-862 ◽  
Author(s):  
Esmail Vessally ◽  
Ibon Alkorta ◽  
Sheida Ahmadi ◽  
Robab Mohammadi ◽  
Akram Hosseinian
Keyword(s):  
Fullerene C60 ◽  
Dft Study

In this article, we studied the interactions between Mg atom and Mg2+ ion and four nanostructures, including a nanocone, nanotube (4,0), nanosheet, and C60 nanocage, to obtain the cell voltages (V) for Mg-ion batteries (MIBs).

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