Rearrangement and Hydrogen Scrambling Pathways of the Toluene Radical Cation: A Computational Study

2008 ◽  
Vol 112 (20) ◽  
pp. 4694-4702 ◽  
Author(s):  
Daniel Norberg ◽  
Per-Erik Larsson ◽  
Nessima Salhi-Benachenhou
Keyword(s):  
Radical Cation ◽  
Computational Study ◽  
Hydrogen Scrambling

Dissociation Mechanism of the 3-Hydroxypyridine Radical Cation: A Computational Study

2015 ◽  
Vol 21 (3) ◽  
pp. 161-169
Author(s):  
Jung-Min Park ◽  
Hyo-Jun Kim ◽  
Joong Chul Choe
Keyword(s):  
Radical Cation ◽  
Computational Study ◽  
Dissociation Mechanism

Mass spectrometry and computational study of collision-induced dissociation of 9-methylguanine–1-methylcytosine base-pair radical cation: intra-base-pair proton transfer and hydrogen transfer, non-statistical dissociation, and reaction with a water ligand

2020 ◽  
Vol 22 (26) ◽  
pp. 14875-14888 ◽  
Author(s):  
Yan Sun ◽  
May Myat Moe ◽  
Jianbo Liu
Keyword(s):  
Mass Spectrometry ◽  
Proton Transfer ◽  
Radical Cation ◽  
Base Pair ◽  
Hydrogen Transfer ◽  
Theoretical Study ◽  
Computational Study ◽  
Collision Induced Dissociation ◽  
Water Ligand

A combined experimental and theoretical study is presented on the collision-induced dissociation of 9-methylguanine–1-methylcytosine base-pair radical cation ([9MG·1MC]˙+) and its monohydrate ([9MG·1MC]˙+·H2O) with Xe and Ar gases.

Photostability via Sloped Conical Intersections: A Computational Study of the Pyrene Radical Cation

2008 ◽  
Vol 112 (43) ◽  
pp. 10881-10886 ◽  
Author(s):  
Andrei M. Tokmachev ◽  
Martial Boggio-Pasqua ◽  
Michael J. Bearpark ◽  
Michael A. Robb
Keyword(s):  
Radical Cation ◽  
Computational Study ◽  
Conical Intersections

2,2‘-Bithiophene Radical Cation:  An Experimental and Computational Study

2000 ◽  
Vol 104 (12) ◽  
pp. 2808-2823 ◽  
Author(s):  
Tamás Keszthelyi ◽  
Mette M.-L. Grage ◽  
Jesper F. Offersgaard ◽  
Robert Wilbrandt ◽  
Christian Svendsen ◽  
...  
Keyword(s):  
Radical Cation ◽  
Computational Study

Computational study of the thermal ring opening of cyclopropyl radical, cation and anion

2004 ◽  
Vol 672 (1-3) ◽  
pp. 209-213 ◽  
Author(s):  
Kun Liu ◽  
Hong-Mei Zhao ◽  
Si-Yu Ma ◽  
Zong-He Li
Keyword(s):  
Radical Cation ◽  
Ring Opening ◽  
Computational Study
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