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On the acidity and reactivity of HNO in aqueous solution and biological systems
The gas phase and aqueous thermochemistry and reactivity of nitroxyl (nitrosyl hydride, HNO) were elucidated with multiconfigurational self-consistent field and hybrid density functional theory calculations and continuum solvation methods. The pK(a) of HNO is predicted to be 7.2 ± 1.0, considerably...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The National Academy of Sciences
2001
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC30114/ https://ncbi.nlm.nih.gov/pubmed/11226215 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.041481598 |
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