579 results on '"Michel, Carine"'
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2. Pd loading threshold for an efficient noble metal use in Pd/CeO2 methane oxidation catalysts
3. Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls.
4. Impact of Organic Templates on the Selective Formation of Zeolite Oligomers
5. Evaluating Thermal Corrections for Adsorption Processes at the Metal/Gas Interface
6. Gaussian attractive potential for carboxylate/cobalt surface interactions.
7. Theoretical study of structure sensitivity on ceria‐supported single platinum atoms and its influence on carbon monoxide adsorption
8. Rational design of selective metal catalysts for alcohol amination with ammonia
9. Unraveling the Role of Base and Catalyst Polarization in Alcohol Oxidation on Au and Pt in Water
10. DFT investigations for the catalytic reaction mechanism of methane combustion occurring on Pd( ii )/Al-MCM-41
11. DFT investigations for the catalytic reaction mechanism of methane combustion occurring on Pd(ii)/Al-MCM-41.
12. A Perspective on the Molecular Modeling of Electrolyte Decomposition Reactions for Solid Electrolyte Interphase Growth in Lithium‐Ion Batteries.
13. Direct Amination of Alcohols Catalyzed by Aluminum Triflate: An Experimental and Computational Study
14. C–H Activation and Proton Transfer Initiate Alkene Metathesis Activity of the Tungsten(IV)–Oxo Complex
15. Supported gold-nickel nano-alloy as a highly efficient catalyst in levulinic acid hydrogenation with formic acid as an internal hydrogen source
16. Direct Amination of Alcohols Catalyzed by Aluminum Triflate: An Experimental and Computational Study.
17. Force Field for Water over Pt(111): Development, Assessment, and Comparison
18. Computational screening for selective catalysts: Cleaving the CC bond during ethanol electro-oxidation reaction
19. Computational screening for selective catalysts: Cleaving the C-C bond during ethanol electro-oxidation reaction
20. Direct n-octanol amination by ammonia on supported Ni and Pd catalysts: activity is enhanced by "spectator" ammonia adsorbates
21. Trends and Control in the Nitridation of Transition-Metal Surfaces
22. Group Additivity for Aqueous Phase Thermochemical Properties of Alcohols on Pt(111)
23. Lessons Learned from Semiempirical Methods for the Li-Ion Battery Solid Electrolyte Interphase
24. Lessons Learned from Semi-Empirical Methods for the Li-Ion Battery Solid Electrolyte Interphase
25. Modifying auditory perception with prisms? Aftereffects of prism adaptation on a wide auditory spectrum in musicians and nonmusicians
26. Molecular mechanics models for the image charge, a comment on “including image charge effects in the molecular dynamics simulations of molecules on metal surfaces”
27. Adsorption and Decomposition of a Lignin β‑O‑4 Linkage Model, 2‑Phenoxyethanol, on Pt(111): Combination of Experiments and First-Principles Calculations
28. Adsorption and Decomposition of a Lignin beta-O-4 Linkage Model, 2-Phenoxyethanol, on Pt(111): Combination of Experiments and First-Principles Calculations
29. Key Role of Anionic Doping for H2 Production from Formic Acid on Pd(111)
30. Key Role of Anionic Doping for H-2 Production from Formic Acid on Pd(111)
31. Decomposition Mechanism of Anisole on Pt(111): Combining Single-Crystal Experiments and First-Principles Calculations
32. Computationally Exploring Confinement Effects in the Methane-to-Methanol Conversion Over Iron-Oxo Centers in Zeolites
33. Solvation free energies for periodic surfaces: comparison of implicit and explicit solvation models
34. Representational Bias in the Radial Axis in Children with Dyslexia: A Landmarks Alignment Study
35. Elucidating the role of electrochemical polarization on the selectivity of the CO2 hydrogenation reaction over Ru
36. Understanding the influence of the composition of the Ag[sbnd]Pd catalysts on the selective formic acid decomposition and subsequent levulinic acid hydrogenation
37. Adhesion of lubricant on aluminium through adsorption of additive head-groups on γ-alumina: A DFT study
38. Gaussian Attractive Potential for Carboxylate/Cobalt Surface Interactions
39. Acquisition and consolidation processes following motor imagery practice
40. Beyond single-crystal surfaces: The GAL21 water/metal force field.
41. Wearing prisms to hear differently: After-effects of prism adaptation on auditory perception
42. C6 Diacids from homocitric acid lactone using relay heterogeneous catalysis in water
43. Machine Learning-Based Prediction of Activation Energies for Chemical Reactions on Metal Surfaces
44. Identifying the Structure of Supported Metal Catalysts Using Vibrational Fingerprints from Ab Initio Nanoscale Models (Small 34/2023)
45. Computational screening for selective catalysts: Cleaving the C[sbnd]C bond during ethanol electro-oxidation reaction
46. Rational design of heterogeneous catalysts for biomass conversion – Inputs from computational chemistry
47. A Joint DFT-kMC Study To Model Ethylene Carbonate Decomposition Reactions: SEI Formation, Growth, and Capacity Loss during Calendar Aging of Li-Metal Batteries
48. Unraveling the Role of H2 and NH3 in the Amination of Isohexides over a Ru/C Catalyst
49. Toward a Realistic Surface State of Ru in Aqueous and Gaseous Environments
50. Electro-carboxylation of butadiene and ethene over Pt and Ni catalysts
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