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MS-CASPT2 Studies on the Photophysics of Selenium-Substituted Guanine Nucleobase
[Image: see text] The MS-CASPT2 method has been employed to optimize minimum-energy structures of 6-selenoguanine (6SeGua) and related two- and three-state intersection structures in and between the lowest five electronic states, i.e., S(2)((1)ππ*), S(1)((1)nπ*), T(2)((3)nπ*), T(1)((3)ππ*), and S(0)...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6649137/ https://www.ncbi.nlm.nih.gov/pubmed/31460068 http://dx.doi.org/10.1021/acsomega.9b01276 |