Formation of 8-nitroguanine and 8-oxoguanine due to reactions of peroxynitrite with guanine
Reactions of peroxynitrite with guanine were investigated using density functional theory (B3LYP) employing 6-31G** and AUG-cc-pVDZ basis sets. Single point energy calculations were performed at the MP2/AUG-cc-pVDZ level. Genuineness of the calculated transition states (TS) was tested by visually ex...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 28(2007), 8 vom: 15. Juni, Seite 1321-35 |
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| Format: | Aufsatz |
| Sprache: | English |
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2007
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't Peroxynitrous Acid 14691-52-2 Guanine 5Z93L87A1R Nitrogen N762921K75 |