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DFT Studies of the Extent of Hole Delocalization in One-electron Oxidized Adenine and Guanine base Stacks
This study investigates the extent of hole delocalization in one-electron oxidized adenine (A)- and guanine (G)-stacks and shows that new IR vibrational bands are predicted that are characteristic of hole delocalization within A-stacks. The geometries of A-stack (A(i); i = 2 – 8) and G-stack (GG and...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2011
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3084348/ https://ncbi.nlm.nih.gov/pubmed/21417208 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp200537t |
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