Yayınlanmış 1 Ocak 2009
| Sürüm v1
Dergi makalesi
Açık
DFT Studies on the Thermal Activation of Molecular Oxygen by Bare [Ni(H)(OH)](+)
- 1. Tech Univ Berlin, Inst Chem, DE-10623 Berlin, Germany
- 2. Indiana Univ, Dept Chem, Bloomington, IN 47405 USA
Açıklama
An extensive density-functional theory (DFT) study has been conducted to shed light on the mechanisms of the recently reported gas-phase ion-molecule reactions of mass-selected [Ni(H)(OH)](-) with O-2 (M. Schlangen, H. Schwarz, Helv. Chim. Acta 2008, 91, 379). Except for the liberation of OH from the encounter complex, all of the other highly atom-specific processes can be explained in a consistent manner.
Dosyalar
bib-0db60a42-1501-445e-aef0-18cbc4111665.txt
Dosyalar
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