200 results on '"Cristol, Sylvain"'
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2. Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass
3. Influence of water, dihydrogen and dioxygen on the stability of the Cr2O3 surface: A first-principles investigation
4. Common intermediate species from reducing and activation of CoMo-based catalyst revealed via multivariate augmented system applied to time-resolved in situ XAS data
5. TiO2-anatase-supported oxorhenate catalysts prepared by oxidative redispersion of metal Re0 for methanol conversion to methylal: A multi-technique in situ/operando study
6. A DFT study of the hematite surface state in the presence of H2, H2O and O2
7. Characterizing the ZrC(111)/c-ZrO2(111) Hetero-Ceramic Interface: First Principles DFT and Atomistic Thermodynamic Modeling
8. Supported oxorhenate catalysts prepared by thermal spreading of metal Re 0 for methanol conversion to methylal
9. Grafting of organic molecular precursors onto ZrC(100)//t-ZrO2(001) surfaces: When experimental and theoretical studies meet
10. Common Intermediate Species from Reducing and Activation of Como-Based Catalyst Revealed Via Multivariate Augmented System Applied to Time-Resolved in Situ Xas Data
11. Time-resolved operando X-ray absorption study of CuO–CeO2/Al2O3 catalyst during total oxidation of propane
12. TiO 2-supported rhenium oxide catalysts for methanol oxidation: Effect of support texture on the structure and reactivity evidenced by an operando Raman study
13. Supported oxorhenate catalysts prepared by thermal spreading of metal Re 0 for methanol conversion to methylal
14. DFT study of furan adsorption over stable molybdenum sulfide catalyst under HDO conditions
15. A DFT study on benzene adsorption over a corner site of tungsten sulfides
16. Computational studies of (mixed) sulfide hydrotreating catalysts
17. The peculiar redox mechanism of copper nitroprusside disclosed by a multi-technique approach
18. A DFT study on benzene adsorption over tungsten sulfides: surface model and adsorption geometries
19. Simulation of the embryonic stage of ZnS formation from aqueous solution
20. Characterizing the ZrC(111)/ c -ZrO 2 (111) Hetero-Ceramic Interface: First Principles DFT and Atomistic Thermodynamic Modeling.
21. DFT study of thiophene adsorption on molybdenum sulfide
22. Rethinking Electronic and Geometric Structures of Real Hydrodesulfurization Catalysts by In Situ Photon-In/Photon-Out Spectroscopy
23. Combined DFT/Spectroscopic Studies of МоО Species Interacting with TiO2 Support
24. Study of the genesis of HDS catalysts by in situ photon in photon out spectroscopy
25. DBT derivatives adsorption over molybdenum sulfide catalysts: a theoretical study
26. Structural study of sodium borate glasses combining molecular dynamics and NMR
27. Adsorption of the Complex on the TiO2(110) surface in presence of water : Ab initio molecular dynamics studies
28. Investigation of the Reducibility of Supported Oxomolybdate Species for Mapping of Active Centers of Partial Oxidation Reaction: In Situ Mo K-Edge XAS and DFT Study
29. Beyond the Oxygen Redox Strategy in Designing Cathode Material for Batteries: Dynamics of a Prussian Blue-like Cathode Revealed by Operando X-ray Diffraction and X-ray Absorption Fine Structure and by a Theoretical Approach
30. Etude structurale des verres de borates par une approche combinant résonance magnétique nucléaire du solide et dynamique moléculaire
31. Rethinking Electronic and Geometric Structures of Real Hydrodesulfurization Catalysts by In Situ Photon-In/Photon-Out Spectroscopy.
32. Indirect detection via spin-1/2 nuclei in solid state NMR spectroscopy: application to the observation of proximities between protons and quadrupolar nuclei
33. [super 17]O solid-state NMR and first-principles calculations of sodium trimetaphosphate ([Na.sub.3][P.sub.3][O.sub.9]), tripolyphosphate ([Na.sub.5][P.sub.3][O.sub.10], and pyrophosphate ([Na.sub.4][P.sub.2][O.sub.7])
34. Comment combiner la chimie organique et les matériaux céramiques pour élaborer de nouveaux composites hautes performances
35. Surface structures and crystal morphology of ZnS: computational study
36. Hydrogen activation on Mo-based sulfide catalysts, a periodic DFT study
37. Elaboration de nanocomposites cœur/coquille: ZrC/SiC
38. Oxidation and Equilibrium Morphology of Zirconium Carbide Low Index Surfaces Using DFT and Atomistic Thermodynamic Modeling
39. Multitechnique characterisation of 304L surface states oxidised at high temperature in steam and air atmospheres
40. Zirconium dioxide nanocrystals : morphology and thermocynamics of hydratation
41. Spectroscopie d'absorption X et catalyse hétérogène
42. Structure of clean and hydrated alpha-Al2O3 (1(1)over-bar02) surfaces: implication on surface charge
43. Stability, equilibrium morphology and hydration of ZrC(111) and (110) surfaces with H2O: a combined periodic DFT and atomistic thermodynamic study
44. Cobalt spinel surfaces : water adsorption investigated by ab initio thermodynamics
45. Guaiacol derivatives and inhibiting species adsorption over MoS 2 and CoMoS catalysts under HDO conditions: A DFT study
46. Nature and evolution of palladium species on Pd-LaCoO3 and Pd-Al2O3 on the curse of the reactions NO+H2+O2 followed with Operando EXAFS
47. Nature et évolution des espèces palladium sur Pd/LaCoO3 et Pd/Al2O3 pendant la réaction NO+H2+O2 suivi par EXAFS en mode operando
48. Structure et réactivité d'oxomolybdates supportés sur TiO2 : Une analyse combinée DFT / spectroscopies operando
49. 17O solid-state NMR and first-principles calculations of sodium trimetaphosphate (Na3P3O9), tripolyphosphate (Na5P3O10), and pyrophosphate (Na4P2O7)
50. O-17 solid-state NMR and first-principles calculations of sodium trimetaphosphate (Na3P3O9), tripolyphosphate (Na5P3O10), and pyrophosphate (Na4P2O7)
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