H-bonded N-heterocyclic base-pair phototautomerizational potential barrier and mechanism: The 7-azaindole dimer
A theoretical analysis of the double proton transfer (PT) in a hydrogen-bonded N-heterocyclic base pair is presented. The calculated (time-dependent density functional theory) double PT barrier calculated for the concerted process of the 7-azaindole C(2h) dimer in the first excited singlet electroni...
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| Publicat a: | Proc Natl Acad Sci U S A |
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| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
National Academy of Sciences
2003
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC327162/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/14701906/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.0306721101 |
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