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Electron-Induced Repair of 2′-Deoxyribose Sugar Radicals in DNA: A Density Functional Theory (DFT) Study

In this work, we used ωB97XD density functional and 6-31++G** basis set to study the structure, electron affinity, populations via Boltzmann distribution, and one-electron reduction potentials (E°) of 2′-deoxyribose sugar radicals in aqueous phase by considering 2′-deoxyguanosine and 2′-deoxythymidi...

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Bibliografische gegevens
Gepubliceerd in:Int J Mol Sci
Hoofdauteurs: Bell, Michael, Kumar, Anil, Sevilla, Michael D.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: MDPI 2021
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Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC7916153/
https://ncbi.nlm.nih.gov/pubmed/33572317
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms22041736
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