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Theoretical Studies of the in Solution Isomeric Protonation of Non-Aromatic Six-Member Rings with Two Nitrogens
For exploring the preferred site for hydrogen bond formation, theoretical calculations have been performed for a number of six-member, non-aromatic rings allowing for alternative protonation on the ring nitrogens. Gas-phase protonation studies for test molecules indicate that the B3LYP/aug-cc-pvtz a...
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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/PMC3098565/ https://ncbi.nlm.nih.gov/pubmed/21452810 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp202241m |
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