186 results on '"Glezakou, Vassiliki-Alexandra"'
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2. Reactivity and Cross-Reactivity in Redox Activation of the Uranyl Ion
3. Data Analytics for Catalysis Predictions: Are We Ready Yet?
4. Assessing entropy for catalytic processes at complex reactive interfaces
5. Synthesis, Isolation, and Study of Heterobimetallic Uranyl Crown Ether Complexes
6. Unraveling the Role of Solvation and Ion Valency on Redox-Mediated Electrosorption through In Situ Neutron Reflectometry and Ab Initio Molecular Dynamics
7. Tailored Computational Approaches to Interrogate Heavy Element Chemistry and Structure in Condensed Phase
8. Advances in electrosynthesis for a greener chemical industry
9. Exploring NaCl-PuCl3 molten salts with machine learning interatomic potentials and graph theory
10. Synthesis, Isolation, and Study of a Heterobimetallic Uranyl Crown-Ether Complex
11. Electrochemical Activation and Functionalization of the Uranyl Ion
12. Self-Organization of 1-Propanol at H-ZSM-5 Brønsted Acid Sites
13. Single-step conversion of ethanol into n-butene-rich olefins over metal catalysts supported on ZrO2-SiO2 mixed oxides
14. Single-Atom Catalysis: An Analogy between Heterogeneous and Homogeneous Catalysts
15. Synthesis and Thermophysical Property Determination of NaCl-PuCl3 Salts
16. Cover Feature: Enhancing CO2 Transport Across a PEEK‐Ionene Membrane and Water‐Lean Solvent Interface (ChemSusChem 13/2023)
17. Dynamically Formed Active Sites on Liquid Boron Oxide for Selective Oxidative Dehydrogenation of Propane
18. Enhancing CO 2 Transport Across a PEEK‐Ionene Membrane and Water‐Lean Solvent Interface
19. Dynamic Evolution of Palladium Single Atoms on Anatase Titania Support Determines the Reverse Water–Gas Shift Activity
20. Introduction: Self-Healing in Chemical Systems
21. Influence of surface and intermolecular interactions on the properties of supported polyoxometalates
22. Actinides in complex reactive media: A combined ab initio molecular dynamics and machine learning analytics study of transuranic ions in molten salts
23. Activation of Lattice and Adatom Oxygen by Highly Stable Ceria-Supported Cu Single Atoms
24. Modeling Absolute Redox Potentials of Ferrocene in the Condensed Phase
25. Impact of functional groups on the electrocatalytic hydrogenation of aromatic carbonyls to alcohols
26. Understanding Metal–Organic Framework Nucleation from a Solution with Evolving Graphs
27. Tuning the Charge and Hydrophobicity of Graphene Oxide Membranes by Functionalization with Ionic Liquids at Epoxide Sites
28. Advanced Theory and Simulation to Guide the Development of CO2 Capture Solvents
29. First-principle investigation on catalytic hydrogenation of benzaldehyde over Pt-group metals
30. Diffusion and Surface Segregation of Interstitial Ti Defects Induced by Electronic Metal–Support Interactions on a Au/TiO2 Nanocatalyst
31. Understanding MOF nucleation from solution with Evolving Graphs
32. Functionalization of Electrodes with Tunable [EMIM]x[Cl]x+1– Ionic Liquid Clusters for Electrochemical Separations
33. Understanding Adsorption of Organics on Pt(111) in the Aqueous Phase: Insights from DFT Based Implicit Solvent and Statistical Thermodynamics Models
34. Determining the Adsorption Energetics of 2,3-Butanediol on RuO2(110): Coupling First-Principles Calculations With Global Optimizers
35. Computational Exploration of a Sulfonated Polybenzimidazole Membrane for 2,3-Butanediol/Water Separation
36. Ab initio molecular dynamics with enhanced sampling in heterogeneous catalysis
37. Understanding MOF nucleation from solution with Evolving Graphs
38. Basic Research Needs for Catalysis Science to Transform Energy Technologies: Report from the U.S. Department of Energy, Office of Basic Energy Sciences Workshop May 8–10, 2017, in Gaithersburg, Maryland
39. Basic Energy Sciences Exascale Requirements Review. An Office of Science review sponsored jointly by Advanced Scientific Computing Research and Basic Energy Sciences, November 3-5, 2015, Rockville, Maryland
40. AMPHIPHILIC WATER‐LEAN CARBON CAPTURE SOLVENT WETTING BEHAVIOR VIA DECOMPOSITION BY STAINLESS‐STEEL INTERFACES
41. Computational and Experimental Study for the Denitrification of Biomass-Derived Hydrothermal Liquefaction Oil
42. Actinide Molten Salts: A Machine-Learning Potential Molecular Dynamics Study
43. Rücktitelbild: Surface Density Dependent Catalytic Activity of Single Palladium Atoms Supported on Ceria (Angew. Chem. 42/2021)
44. Back Cover: Surface Density Dependent Catalytic Activity of Single Palladium Atoms Supported on Ceria (Angew. Chem. Int. Ed. 42/2021)
45. The role of sub-surface hydrogen on CO2 reduction and dynamics on Ni(110): An ab initio molecular dynamics study
46. Surface Density Dependent Catalytic Activity of Single Palladium Atoms Supported on Ceria**
47. Surface Density Dependent Catalytic Activity of Single Palladium Atoms Supported on Ceria**
48. Activity of Cu–Al–Oxo Extra-Framework Clusters for Selective Methane Oxidation on Cu-Exchanged Zeolites
49. Binding and stability of MgO monomers on anatase TiO2(101)
50. Norm-Conserving Pseudopotentials and Basis Sets to Explore Actinide Chemistry in Complex Environments
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