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Stepwise double excited-state proton transfer is not possible in 7-azaindole dimer
The nature of the excited-state double proton transfer in 7-azaindole (7AI) dimer—whether it is stepwise or concerted—has been under a fierce debate for two decades. Based on high-level computational simulations of static and dynamic properties, we show that much of the earlier discussions was induc...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947511/ https://www.ncbi.nlm.nih.gov/pubmed/29861905 http://dx.doi.org/10.1039/c5sc01902h |