117 results on '"Boronat, Mercedes"'
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2. An alternative catalytic cycle for selective methane oxidation to methanol with Cu clusters in zeolites
3. Effect of Framework Composition and NH3 on the Diffusion of Cu+ in Cu-CHA Catalysts Predicted by Machine-Learning Accelerated Molecular Dynamics
4. From Well-Defined Clusters to Functional Materials: Molecular Engineering of Amorphous Molybdenum Sulfides for Hydrogen Evolution Electrocatalysis
5. Ag2(0) dimers within a thioether-functionalized MOF catalyze the CO2 to CH4 hydrogenation reaction
6. Approaching enzymatic catalysis with zeolites or how to select one reaction mechanism competing with others
7. Crystalline phase transition in as-synthesized pure silica zeolite RTH containing tetra-alkyl phosphonium as organic structure directing agent
8. BINOL-Containing Chiral Porous Polymers as Platforms for Enantiorecognition
9. Towards “enzyme-like” zeolite designs to maximize the efficiency of catalysts by molecular recognition: Fine-tuning confinement and active site location
10. Sub-nanometer Copper Clusters as Alternative Catalysts for the Selective Oxidation of Methane to Methanol with Molecular O2
11. A Career in Catalysis: Avelino Corma
12. NH3-SCR catalysts for heavy-duty diesel vehicles: Preparation of CHA-type zeolites with low-cost templates
13. Direct assessment of confinement effect in zeolite-encapsulated subnanometric metal species
14. Influence of the zeolite support on the catalytic properties of confined metal clusters: a periodic DFT study of O2 dissociation on Cun clusters in CHA
15. The 2D or 3D morphology of sub-nanometer Cu5 and Cu8 clusters changes the mechanism of CO oxidation
16. Mobility and Reactivity of Cu+ Species in Cu-CHA Catalysts under NH3-SCR-NOx Reaction Conditions: Insights from AIMD Simulations
17. Combined Spectroscopic and Computational Study of Nitrobenzene Activation on Non-Noble Metals-Based Mono- and Bimetallic Catalysts
18. Design and Synthesis of the Active Site Environment in Zeolite Catalysts for Selectively Manipulating Mechanistic Pathways
19. In-Situ-Generated Active Hf-hydride in Zeolites for the Tandem N-Alkylation of Amines with Benzyl Alcohol
20. Regioirregular and catalytic Mizoroki–Heck reactions
21. Theoretical tools for studying gold nanoparticles as catalysts for oxidation and hydrogenation reactions
22. Soluble/MOF-Supported Palladium Single Atoms Catalyze the Ligand-, Additive-, and Solvent-Free Aerobic Oxidation of Benzyl Alcohols to Benzoic Acids
23. The Limits of the Confinement Effect Associated to Cage Topology on the Control of the MTO Selectivity
24. Hydrogenation of substituted nitroaromatics on non-noble metal catalysts: mechanistic insights to improve selectivity
25. Advanced approaches: general discussion
26. Tailoring Lewis/Brønsted acid properties of MOF nodes via hydrothermal and solvothermal synthesis: simple approach with exceptional catalytic implications
27. Theoretical and Spectroscopic Evidence of the Dynamic Nature of Copper Active Sites in Cu-CHA Catalysts under Selective Catalytic Reduction (NH3–SCR–NOx) Conditions
28. Unraveling the Reaction Mechanism and Active Sites of Metal–Organic Frameworks for Glucose Transformations in Water: Experimental and Theoretical Studies
29. The Crucial Role of Cluster Morphology on the Epoxidation of Propene Catalyzed by Cu5: A DFT Study
30. Organic‐Free Synthesis of Zeolite Y with High Si/Al Ratios: Combined Strategy of In Situ Hydroxyl Radical Assistance and Post‐Synthesis Treatment
31. Impact of Zeolite Framework Composition and Flexibility on Methanol‐To‐Olefins Selectivity: Confinement or Diffusion?
32. Impact of Zeolite Framework Composition and Flexibility on Methanol‐To‐Olefins Selectivity: Confinement or Diffusion?
33. Organic‐Free Synthesis of Zeolite Y with High Si/Al Ratios: Combined Strategy of In Situ Hydroxyl Radical Assistance and Post‐Synthesis Treatment
34. Production of aromatics from biomass by computer-aided selection of the zeolite catalyst
35. Selective active site placement in Lewis acid zeolites and implications for catalysis of oxygenated compounds
36. Chapter 38. Catalysis by Lewis Acids: Basic Principles for Highly Stereoselective Heterogeneously Catalyzed Cyclization Reactions
37. Chemical and Structural Parameter Connecting Cavity Architecture, Confined Hydrocarbon Pool Species, and MTO Product Selectivity in Small-Pore Cage-Based Zeolites
38. Low-Temperature Catalytic NO Reduction with CO by Subnanometric Pt Clusters
39. Control of the Reaction Mechanism of Alkylaromatics Transalkylation by Means of Molecular Confinement Effects Associated to Zeolite Channel Architecture
40. Spectroscopic Evidence and Density Functional Theory (DFT) Analysis of Low-Temperature Oxidation of Cu+ to Cu2+NOx in Cu-CHA Catalysts: Implications for the SCR-NOx Reaction Mechanism
41. Base-Controlled Heck, Suzuki, and Sonogashira Reactions Catalyzed by Ligand-Free Platinum or Palladium Single Atom and Sub-Nanometer Clusters
42. What Is Measured When Measuring Acidity in Zeolites with Probe Molecules?
43. Sub nanometer clusters in catalysis
44. Confined Pt11+ Water Clusters in a MOF Catalyze the Low‐Temperature Water–Gas Shift Reaction with both CO2 Oxygen Atoms Coming from Water
45. Confined Pt 1 1+ Water Clusters in a MOF Catalyze the Low‐Temperature Water–Gas Shift Reaction with both CO 2 Oxygen Atoms Coming from Water
46. Making Nanosized CHA Zeolites with Controlled Al Distribution for Optimizing Methanol‐to‐Olefin Performance
47. A new molecular pathway allows the chemoselective reduction of nitroaromatics on non-noble metal catalysts
48. Synthesis of reaction‐adapted zeolites as methanol-to-olefins catalysts with mimics of reaction intermediates as organic structure‐directing agents
49. Selective Introduction of Acid Sites in Different Confined Positions in ZSM-5 and Its Catalytic Implications
50. Elucidation of the Interaction Mechanism between Organic Chiral Cages with Biomolecules through Nuclear Magnetic Resonance and Theoretical Studies
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