𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A DFT Study of Ethylene Hydrogenation Reaction Mechanisms on Ni13Nanocluster

✍ Scribed by N. D. Yilmazer, M. F. Fellah, I. Onal


Book ID
120783631
Publisher
Springer
Year
2013
Tongue
English
Weight
316 KB
Volume
56
Category
Article
ISSN
1022-5528

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


A DFT study on the mechanisms of tungste
✍ Peng Jin; Lu Zhu; Donghui Wei; Mingsheng Tang; Xiangyu Wang πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier 🌐 English βš– 675 KB

The mechanisms of the title reaction have been studied by density functional theory (DFT) method. Two possible reaction channels, including the non-catalyzed channel (channel 1) and the catalyzed channel promoted by peroxo tungsten compound (channel 2), have been studied at the B3LYP/[LANL2DZ/6-31G(