Reactivity of shape-controlled crystals and metadynamics simulations locate the weak spots of alumina in water
Réocreux, R., Girel, É., Clabaut, P., Tuel, A., Besson, M., Chaumonnot, A., Cabiac, A., Sautet, P., Michel, C.
Published in Nature communications (17.07.2019)
Published in Nature communications (17.07.2019)
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Journal Article
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
Performance and degradation of Proton Exchange Membrane Fuel Cells: State of the art in modeling from atomistic to system scale
Jahnke, T., Futter, G., Latz, A., Malkow, T., Papakonstantinou, G., Tsotridis, G., Schott, P., Gérard, M., Quinaud, M., Quiroga, M., Franco, A.A., Malek, K., Calle-Vallejo, F., Ferreira de Morais, R., Kerber, T., Sautet, P., Loffreda, D., Strahl, S., Serra, M., Polverino, P., Pianese, C., Mayur, M., Bessler, W.G., Kompis, C.
Published in Journal of power sources (01.02.2016)
Published in Journal of power sources (01.02.2016)
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Structural Characterization of the EtOH–TiCl4–MgCl2 Ziegler–Natta Precatalyst
D’Anna, V, Norsic, S, Gajan, D, Sanders, K, Pell, A. J, Lesage, A, Monteil, V, Copéret, C, Pintacuda, G, Sautet, P
Published in Journal of physical chemistry. C (18.08.2016)
Published in Journal of physical chemistry. C (18.08.2016)
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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
Antibiotic-loaded tantalum may serve as an antimicrobial delivery agent
Sautet, P, Parratte, S, Mékidèche, T, Abdel, M P, Flécher, X, Argenson, J-N, Ollivier, M
Published in The bone & joint journal (01.07.2019)
Published in The bone & joint journal (01.07.2019)
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Journal Article
Understanding the HIV-1 Protease Reactivity with DFT: What Do We Gain from Recent Functionals?
Garrec, J, Sautet, P, Fleurat-Lessard, P
Published in The journal of physical chemistry. B (07.07.2011)
Published in The journal of physical chemistry. B (07.07.2011)
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Journal Article
Economic evaluation of porous metal cones in total knee arthroplasty
Mékidèche, T, Armoiry, X, Sautet, P, Dussart, C, Mandy, B
Published in Annales pharmaceutiques françaises (01.01.2022)
Published in Annales pharmaceutiques françaises (01.01.2022)
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Journal Article
Highly selective hydrogenation of butadiene on Pt/Sn alloy elucidated by first-principles calculations
Vigné, F., Haubrich, J., Loffreda, D., Sautet, P., Delbecq, F.
Published in Journal of catalysis (30.09.2010)
Published in Journal of catalysis (30.09.2010)
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