An explicit DFT modeling of water surroundings on the electron paramagnetic resonance properties of 4-amino-2,2,6,6-tetramethyl-piperidine-N-oxyl (TA) has been performed. A stepwise hydration of TA is accompanied with certain changes in geometrical parameters (bond lengths and angles) and redistribu
β¦ LIBER β¦
One-electron oxidation of ferrocenes by short-lived N-oxyl radicals. The role of structural effects on the intrinsic electron transfer reactivities
β Scribed by Baciocchi, Enrico; Bietti, Massimo; D'Alfonso, Claudio; Lanzalunga, Osvaldo; Lapi, Andrea; Salamone, Michela
- Book ID
- 119964866
- Publisher
- Royal Society of Chemistry
- Year
- 2011
- Tongue
- English
- Weight
- 338 KB
- Volume
- 9
- Category
- Article
- ISSN
- 1477-0520
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