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Excited-State Properties and Relaxation Pathways of Selenium-Substituted Guanine Nucleobase in Aqueous Solution and DNA Duplex

[Image: see text] The excited-state properties and relaxation mechanisms after light irradiation of 6-selenoguanine (6SeG) in water and in DNA have been investigated using a quantum mechanics/molecular mechanics (QM/MM) approach with the multistate complete active space second-order perturbation the...

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Detalles Bibliográficos
Autores principales:	Fang, Ye-Guang, Valverde, Danillo, Mai, Sebastian, Canuto, Sylvio, Borin, Antonio Carlos, Cui, Ganglong, González, Leticia
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8023715/ https://www.ncbi.nlm.nih.gov/pubmed/33570942 http://dx.doi.org/10.1021/acs.jpcb.0c10855

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