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Energetics and dynamics of proton transfer reactions along short water wires
Proton transfer (pT) reactions in biochemical processes are often mediated by chains of hydrogen-bonded water molecules. We use hybrid density functional calculations to study pT along quasi one-dimensional water arrays that connect an imidazolium-imidazole proton donor-acceptor pair. We characteriz...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3470879/ https://ncbi.nlm.nih.gov/pubmed/21701719 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c1cp21112a |
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