Quantum study of the active sites of the γ alumina surface (II): QM/MM (LSCF) approach to water, hydrogen disulfide and carbon monoxide adsorption
| Autor: | Maresca, O., Ionescu, A., Allouche, A. ∗, Aycard, J.P., Rajzmann, M., Hutschka, F. |
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| Zdroj: | In Journal of Molecular Structure: THEOCHEM 2003 620(2):119-128 |
| Databáze: | ScienceDirect |
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