One-electron oxidation of ds(5'-GGG-3') and ds(5'-G(8OG)G-3') and the nature of hole distribution: a density functional theory (DFT) study

Of particular interest in radiation-induced charge transfer processes in DNA is the extent of hole localization immediately after ionization and subsequent relaxation. To address this, we considered double stranded oligomers containing guanine (G) and 8-oxoguanine (8OG), i.e., ds(5'-GGG-3'...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2020-03, Vol.22 (9), p.5078-5089
Hauptverfasser:	Kumar, Anil, Adhikary, Amitava, Sevilla, Michael D, Close, David M
Format:	Artikel
Sprache:	eng
Schlagworte:	Adiabatic flow Cations Charge transfer Density functional theory Deoxyribonucleic acid DNA Hole distribution Ionization potentials Mathematical analysis Oligomers Oxidation Radiation effects Stacks
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