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The reaction between guanine radical cation (G+·) and carbonate radical anion (CO3−·) producing the mutagenic product 8‐oxoguanine that has been observed experimentally was investigated using density functional and second‐order Møller–Plesset perturbation (MP2) theories. The structures of reactant, intermediate, and product complexes as well as those of the transition states were fully optimized at...
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