Systematic investigation of DFT-GIAO 15N NMR chemical shift prediction using B3LYP/cc-pVDZ: application to studies of regioisomers, tautomers, protonation states and N-oxides.
| Autor: | Xin, Dongyue, Sader, Charles Avery, Fischer, Udo, Wagner, Klaus, Jones, Paul-James, Xing, Minli, Fandrick, Keith R., Gonnella, Nina C. |
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| Zdroj: | Organic & Biomolecular Chemistry; 1/28/2017, Vol. 15 Issue 4, p928-936, 9p |
| Databáze: | Complementary Index |
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