The electronic structure and geometry of polymethylaluminoxane (MAO) [ 1Al(CH 3 )O1 ] n with different size (n = 4 -12) have been studied using quantum-chemical DFT (density functional theory) calculations. It has been found: 1) Starting from n = 6, the three-dimensional oxo-bridged (cage) structure
Quantum Chemical Studies of the Adsorption of Thiophene on MOS2 Hydroprocessing Sites
β Scribed by J. Joffre; D. A. Lerner; P. Geneste
- Publisher
- Wiley (John Wiley & Sons)
- Year
- 2010
- Weight
- 320 KB
- Volume
- 93
- Category
- Article
- ISSN
- 0037-9646
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Carbon monoxide adsorption on reduced and on sulfided Mo/AlzO3 was studied by gravi try and low temperature IR spectroscopy. CO and M?+-CO adsorption complexes are formed on H2-reduced and on sulfided catalysts, respectively. The saturation coverage by CO in the temperature range between 125 K and 2
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