Use of DFT to achieve a rational understanding of acid–basic properties of γ-alumina surfaces
Digne, M, Sautet, P, Raybaud, P, Euzen, P, Toulhoat, H
Published in Journal of catalysis (15.08.2004)
Published in Journal of catalysis (15.08.2004)
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Journal Article
Effects of morphology on surface hydroxyl concentration: a DFT comparison of anatase-TiO2 and γ-alumina catalytic supports
ARROUVEL, C, DIGNE, M, BREYSSE, M, TOULHOAT, H, RAYBAUD, P
Published in Journal of catalysis (15.02.2004)
Published in Journal of catalysis (15.02.2004)
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Journal Article
Hydroxyl Groups on γ-Alumina Surfaces: A DFT Study
Digne, M., Sautet, P., Raybaud, P., Euzen, P., Toulhoat, H.
Published in Journal of catalysis (01.10.2002)
Published in Journal of catalysis (01.10.2002)
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Journal Article
Effects of crystal size and Si/Al ratio on the surface properties of H-ZSM-5 zeolites
Armaroli, T., Simon, L.J., Digne, M., Montanari, T., Bevilacqua, M., Valtchev, V., Patarin, J., Busca, G.
Published in Applied catalysis. A, General (07.06.2006)
Published in Applied catalysis. A, General (07.06.2006)
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Journal Article
Morphology and Surface Properties of Boehmite (γ-AlOOH): A Density Functional Theory Study
Raybaud, P, Digne, M, Iftimie, R, Wellens, W, Euzen, P, Toulhoat, H
Published in Journal of catalysis (25.07.2001)
Published in Journal of catalysis (25.07.2001)
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Journal Article
A rational interpretation of improved catalytic performances of additive-impregnated dried CoMo hydrotreating catalysts: a combined theoretical and experimental study
Costa, V, Guichard, B, Digne, M, Legens, C, Lecour, P, Marchand, K, Raybaud, P, Krebs, E, Geantet, C
Published in Catalysis science & technology (01.01.2013)
Published in Catalysis science & technology (01.01.2013)
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Journal Article
Decamolybdocobaltate Heteropolyanions in Aqueous Solutions: Chemistry Driving Their Formation and Domains of Stability
Moreau, J, Delpoux, O, Devers, E, Digne, M, Loridant, S
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.01.2012)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (12.01.2012)
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Journal Article
First principles surface thermodynamics of industrial supported catalysts in working conditions
Raybaud, P, Costa, D, Corral Valero, M, Arrouvel, C, Digne, M, Sautet, P, Toulhoat, H
Published in Journal of physics. Condensed matter (13.02.2008)
Published in Journal of physics. Condensed matter (13.02.2008)
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Journal Article
DFT study of the interaction of a single palladium atom with γ-alumina surfaces : the role of hydroxylation
CORRAL VALERO, M, DIGNE, M, SAUTET, P, RAYBAUD, P
Published in Oil & gas science and technology (01.07.2006)
Published in Oil & gas science and technology (01.07.2006)
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Conference Proceeding
Journal Article
Dft Studies of Fluid-Minerals Interactions At the Molecular Level: Examples and Perspectives
Toulhoat, H., Digne, M., Arrouvel, C., Raybaud, P.
Published in Oil & gas science and technology (01.03.2005)
Published in Oil & gas science and technology (01.03.2005)
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Journal Article
Conference Proceeding
Structure and Stability of Aluminum Hydroxides: A Theoretical Study
Digne, Mathieu, Sautet, Philippe, Raybaud, Pascal, Toulhoat, Hervé, Artacho, Emilio
Published in The journal of physical chemistry. B (23.05.2002)
Published in The journal of physical chemistry. B (23.05.2002)
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Journal Article
New insights into the role of glycol-based additives in the improvement of hydrotreatment catalyst performances
Costa, Victor, Marchand, Karin, Digne, Mathieu, Geantet, Christophe
Published in Catalysis today (2008)
Published in Catalysis today (2008)
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Journal Article
Conference Proceeding
Insights into the Geometry, Stability and Vibrational Properties of OH Groups on γ-Al2O3, TiO2-Anatase and MgO from DFT Calculations
Chizallet, C., Digne, M., Arrouvel, C., Raybaud, P., Delbecq, F., Costentin, G., Che, M., Sautet, P., Toulhoat, H.
Published in Topics in catalysis (01.07.2009)
Published in Topics in catalysis (01.07.2009)
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Journal Article