Article
Mutagenic product formation due to reaction of guanine radical cation with nitrogen dioxide.
The journal of physical chemistry. B - 12 Mar 2009
Agnihotri Neha, Mishra P C
Abstract excerpt
The reaction between nitrogen dioxide (NO2*) and guanine radical cation (G*+) yielding the mutagenic product 8-nitroguanine radical cation (8-nitroG*+) was studied in the presence of one or two water molecules. All the relevant extrema on the potential energy surface were located by fully optimizing the geometries of the reactant, intermediate, and product complexes as well as transition states at the...
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