Article
Intermolecular proton transfer in microhydrated guanine-cytosine base pairs: a new mechanism for spontaneous mutation in DNA.
The journal of physical chemistry. A - 1 Oct 2009
Cerón-Carrasco J P, Requena A, Zúñiga J, Michaux C, Perpète E A, Jacquemin D
Abstract excerpt
Accurate calculations of the double proton transfer (DPT) in the adenine-thymine base pair (AT) were presented in a previous work [J. Phys. Chem. A 2009, 113, 7892.] where we demonstrated that the mechanism of the reaction in solution is strongly affected by surrounding water. Here we extend our methodology to the guanine-cytosine base pair (GC), for which it turns out that the proton transfer in the gas phase is...
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