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Solvent Effects on Ionization Potentials of Guanine Runs and Chemically Modified Guanine in Duplex DNA: Effect of Electrostatic Interaction and Its Reduction due to Solvent

[Image: see text] We examined the ionization potential (IP) corresponding to the free energy of a hole on duplex DNA by semiempirical molecular orbital theory with a continuum solvent model. As for the contiguous guanines (a guanine run), we found that the IP in the gas phase significantly decreases...

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Detalles Bibliográficos
Autores principales: Yokojima, Satoshi, Yoshiki, Norifumi, Yanoi, Wataru, Okada, Akira
Formato: Texto
Lenguaje:English
Publicado: American Chemical Society 2009
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2825092/
https://www.ncbi.nlm.nih.gov/pubmed/19947608
http://dx.doi.org/10.1021/jp9054582