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Oxidation of arylamidoximes by various chemical and biomimetic systems: comparison with their oxidations by hemeproteins

✍ Scribed by Sandrine Vadon-Le Goff; Jean-Luc Boucher; Daniel Mansuy


Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
234 KB
Volume
3
Category
Article
ISSN
1387-1609

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Ab initio and density functional theory (DFT) methods have been applied to generated geometries of chemical systems built only from nitrogen and oxygen. The results of hybrid, local, and nonlocal DFT methods were compared with ab initio HF and MP2 methods. The suitability of DFT methods for modeling