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Which Oxidant Is Really Responsible for P450 Model Oxygenation Reactions? A Kinetic Approach

✍ Scribed by Alicja Franke; Christoph Fertinger; Rudi van Eldik

Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
350 KB
Volume
47
Category
Article
ISSN
0044-8249

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The old 2 TS SO shown there (located with the option opt = loose in Gaussian 03) and the new one (reoptimized with the default convergence criterion; see also the Supporting Information) are both given below, along with their frequencies and relative energies (B3LYP/LACVP\*\* level). The large imagi