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Amarjeet Yadav and P. C. Mishra Reactivities of hydroxyl and perhydroxyl radicals toward cytosine and thymine: A comparative study International Journal of Quantum Chemistry 113

Version of Record online: 16 MAR 2012 | DOI: 10.1002/qua.24050

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The hydroxyl (OH) and perhydroxyl (OOH) radicals are models of reactive oxygen species formed by several enzymatic and nonenzymatic processes and thus abundant in biological media. Their addition and hydrogen abstraction reactions with DNA nitrogen bases like cytosine and thymine are studied at the density functional theory level in this article, including the effect of solvation in aqueous media on the reaction energetics.

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