Journal of Physical Chemistry B 2006 Philippe Sautet - Abstracts
| Journal of Physical Chemistry B 2006 Philippe Sautet | |||||
| Title | Subject | Authors | |||
|---|---|---|---|---|---|
| Comment on 'examination of spinel and nonspinel structural models of [gamma]-Al2O3 by DFT and Rietveld refinement simulations. | Chemicals, plastics and rubber industries | Herve Toulhoat, Pascal Raybaud, Bernadette Rebours, Philippe Sautet, Mathieu Digne | |||
| Heterolytic splitting of [H.sub.2] and C[H.sub.4] on [gamma]-alumina as a structural probe for defect sites. | Chemicals, plastics and rubber industries | Philippe Sautet, Francoise Delbecq, Jerome Joubert, Alain Salameh, Vincent Krakoviack, Christophe Coperet, Jean Marie Basset | |||
| Influence of the hydroxylation of gamma-Al(sub 2)O(sub 3) surfaces on the stability and diffusion of single Pd atom: A DFT study.(density functional theory) | Chemicals, plastics and rubber industries | Pascal Raybaud, Philippe Sautet, Manuel Corral Valero | |||
| Revisiting acido-basicity of the MgO surface by periodic density functional theory calculations: Role of the surface topology and ion coordination on water dissociation. | Chemicals, plastics and rubber industries | Michel Che, Philippe Sautet, Francoise Delbecq, Celine Chizallet, Guylene Costentin | |||
| Simulating temperature programmed desorption of water on hydrated gamma-alumina from first-principles calculations. | Chemicals, plastics and rubber industries | Philippe Sautet, Francoise Delbecq, Jerome Joubert, Paul Fleurat-Lessard | |||
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