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Peroxidase-Catalyzed oxidation of p-anisidine with H2O2 in toluene

✍ Scribed by R. A. Ramelmeier; H. W. Blanch

Publisher
John Wiley and Sons
Year
1989
Tongue
English
Weight
487 KB
Volume
33
Category
Article
ISSN
0006-3592

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πŸ“œ SIMILAR VOLUMES

DFT and MP2 molecular orbital determinat
DFT and MP2 molecular orbital determination of OH-toluene-O2 isomeric structures in the atmospheric oxidation of toluene
✍ GarcοΏ½a-Cruz, Isidoro; Castro, Miguel; Vivier-Bunge, Annik πŸ“‚ Article πŸ“… 2000 πŸ› John Wiley and Sons 🌐 English βš– 286 KB πŸ‘ 1 views

We have performed an exhaustive theoretical study, using a density functional theory (DFT) and ab initio techniques, of the possible isomers of the OH-toluene-O 2 radical. DFT calculations of the all electron type using the hybrid B3LYP approach and 6-31G \* orbital basis set were employed. In addit