Reaction of hypochlorous acid with imidazole : formation of 2-chloro- and 2-oxoimidazoles
Reaction of hypochlorous acid (HOCl) with imidazole (Im) taken as a model for the 5-membered ring of guanine, leading to the products 2-chloro- and 2-oxo-imidazoles was investigated at the B3LYP/6-31+G* and B3LYP/AUG-cc-pVDZ levels of density functional theory. For all cases, single point energy cal...
| Publié dans: | Journal of computational chemistry. - 1984. - 29(2008), 1 vom: 15. Jan., Seite 98-107 |
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| Auteur principal: | |
| Autres auteurs: | , |
| Format: | Article |
| Langue: | English |
| Publié: |
2008
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Research Support, Non-U.S. Gov't Imidazoles Hypochlorous Acid 712K4CDC10 |