37 results on '"Toulhoat H."'
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2. Hydrodesulfurization and hydrodemetallization of different origin vacuum residues: Characterization and reactivity
3. Modeling residue hydrotreating
4. Edge wetting effects of γ-Al 2O 3 and anatase-TiO 2 supports by MoS 2 and CoMoS active phases: A DFT study
5. DFT makes the morphologies of anatase-TiO 2 nanoparticles visible to IR spectroscopy
6. A density functional theory comparison of anatase (TiO 2)- and γ-Al 2O 3-supported MoS 2 catalysts
7. A DFT study of the adsorption of butane in MOR and activation on the Lewis center
8. Effects of PH 2O , PH 2S , PH 2 on the surface properties of anatase–TiO 2 and γ-Al 2O 3: a DFT study
9. Use of DFT to achieve a rational understanding of acid–basic properties of γ-alumina surfaces
10. Effects of morphology on surface hydroxyl concentration: a DFT comparison of anatase–TiO 2 and γ-alumina catalytic supports
11. Effect of confinement on the selectivity of hydrocracking
12. New insights into parameters controlling the selectivity in hydrocracking reactions
13. Catalytic isomerization of 2-pentene in H-ZSM-22—A DFT investigation
14. Extraframework Aluminum Species in Zeolites: Ab Initio Molecular Dynamics Simulation of Gmelinite
15. Periodic trends in hydrodesulfurization: in support of the Sabatier principle
16. Linear Hydrocarbons Adsorbed in the Acid Zeolite Gmelinite at 700 K ab Initio Molecular Dynamics Simulation of Hexane and Hexene
17. Morphology and Surface Properties of Boehmite (γ-AlOOH): A Density Functional Theory Study
18. Structure, Energetics, and Electronic Properties of the Surface of a Promoted MoS2 Catalyst: An ab Initio Local Density Functional Study
19. Ab Initio Study of the H2–H2S/MoS2 Gas–Solid Interface: The Nature of the Catalytically Active Sites
20. Hydrocracking of phenanthrene over Pt/SiO2-Al2O3, Pt/H-Y, Pt/H-β and Pt/H-ZSM-5 catalysts: Reaction pathway and products distribution
21. Ethylene, sulphur, and chlorine coadsorption on Pd(111): a theoretical study of poisoning and promotion
22. Hydrogen, sulphur and chlorine coadsorption on Pd(111): a theoretical study of poisoning and promotion
23. Ab-initio energy profiles for thiophene HDS on the MoS2 (1010) edge-surface
24. Heterogeneous Catalysis: Use of Density Functional Theory
25. Heterogeneous Catalysis: Use of Density Functional Theory
26. Hydroxyl Groups on γ-Alumina Surfaces: A DFT Study
27. 15-P-12-Ab-initio study of the adsorption and reactions of hydrocarbons in mordenite
28. 15-O-02 - Ab-initio simulation of dynamical processes in zeolites
29. Interrelations between initial pore structure, morphology and distribution of accumulated deposits, and lifetimes of hydrodemetallisation catalysts
30. Optimization of the composition of Ni-W/A1 20 3 hydrotreating catalysts using model molecules and real feedstock conversion studies
31. Carbonate rock wettability changes induced by organic compound adsorption
32. Industrial MoO 3-promoter oxide-γ-Al 2O 3 hydrotreating catalysts: genesis and architecture description
33. Low-temperature synthesis of mixed NiMo sulfides: structural, textural and catalytic properties
34. Preparation of Co-Mo-γAl 2O 3 and Ni-Mo-γAl 2O 3 catalysts by ph regulation of molybdenum solution. characterization of supported species and hydrogenation activities
35. A geometrical model of the active phase of hydrotreating catalysts
36. Structural and electronic properties of the MoS 2(101̄0) edge-surface
37. On the Addition of Various Metals as Inorganic Salts or Organometallic Complexes to a MoS2-α2O3 Hydroprocessing Catalyst: Preparation, Characterization and Hydrogenation Activity
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