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On the evolution of one-electron-oxidized deoxyguanosine in damaged DNA under physiological conditions: a DFT and ONIOM study on proton transfer and equilibrium

Corresponding authors
Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, San Rafael Atlixco 186, Col. Vicentina, Iztapalapa, México D. F., México
E-mail: agal@xanum.uam.mx
Departamento de Física y Química Teórica, Facultad de Química, Universidad Nacional Autónoma de México, México DF 04510, México
E-mail: jidaboy@unam.mx
Phys. Chem. Chem. Phys., 2012,14, 12476-12484

DOI: 10.1039/C2CP40799J
Received 13 Mar 2012, Accepted 30 Apr 2012
First published online 30 Apr 2012

This article is part of themed collection: Theoretical chemical physics of biological systems
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