512 results on '"Glezakou, Vassiliki-Alexandra"'
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2. How collective phenomena impact CO2 reactivity and speciation in different media
3. Exploring NaCl-PuCl3 molten salts with machine learning interatomic potentials and graph theory
4. Synthesis and thermophysical property determination of NaCl-PuCl3 salts
5. Single-step conversion of ethanol into n-butene-rich olefins over metal catalysts supported on ZrO2-SiO2 mixed oxides
6. Harness the power of atomistic modeling and deep learning in biofuel separation
7. Actinides in complex reactive media: A combined ab initio molecular dynamics and machine learning analytics study of transuranic ions in molten salts
8. Impact of functional groups on the electrocatalytic hydrogenation of aromatic carbonyls to alcohols
9. Activation and Functionalization of the Uranyl Ion by Electrochemical Reduction.
10. Pairing a Global Optimization Algorithm with EXAFS to Characterize Lanthanide Structure in Solution.
11. First-principle investigation on catalytic hydrogenation of benzaldehyde over Pt-group metals
12. Reactivity and Cross-Reactivity in Redox Activation of the Uranyl Ion
13. Data Analytics for Catalysis Predictions: Are We Ready Yet?
14. Creating self-assembled arrays of mono-oxo (MoO₃)₁ species on TiO₂(101) via deposition and decomposition of (MoO₃) n oligomers
15. Ab initio molecular dynamics assessment of thermodynamic and transport properties in (K,Li)Cl and (K, Na)Cl molten salt mixtures
16. Assessing entropy for catalytic processes at complex reactive interfaces
17. Electro-reduction of organics on metal cathodes: A multiscale-modeling study of benzaldehyde on Au (111)
18. Influence of Ag metal dispersion on the thermal conversion of ethanol to butadiene over Ag-ZrO2/SiO2 catalysts
19. Impact of Cr and Co on 99Tc retention in magnetite: A combined study of ab initio molecular dynamics and experiments
20. Polymer-cement composites with adhesion and re-adhesion (healing) to casing capability for geothermal wellbore applications
21. Synthesis, Isolation, and Study of Heterobimetallic Uranyl Crown Ether Complexes
22. Unraveling the Role of Solvation and Ion Valency on Redox-Mediated Electrosorption through In Situ Neutron Reflectometry and Ab Initio Molecular Dynamics
23. Tailored Computational Approaches to Interrogate Heavy Element Chemistry and Structure in Condensed Phase
24. Impeding (99)Tc(IV) mobility in novel waste forms.
25. Progress and challenges in self-healing cementitious materials
26. Theoretical insights into the surface physics and chemistry of redox-active oxides
27. Confinement effects and acid strength in zeolites
28. Chemical transformations of captured CO2 into cyclic and polymeric carbonates
29. Insights into the physical and chemical properties of a cement-polymer composite developed for geothermal wellbore applications
30. Advances in electrosynthesis for a greener chemical industry
31. Molecular Understanding of Nitrogen Oxide Fixation of Water-Lean Carbon Capture Solvents by Atomistic Modeling.
32. Carbon-supported Pt during aqueous phenol hydrogenation with and without applied electrical potential: X-ray absorption and theoretical studies of structure and adsorbates
33. Carboxyl intermediate formation via an in situ-generated metastable active site during water-gas shift catalysis
34. Probing equilibrium of molecular and deprotonated water on TiO₂(110)
35. Synthesis, Isolation, and Study of a Heterobimetallic Uranyl Crown-Ether Complex
36. Electrochemical Activation and Functionalization of the Uranyl Ion
37. Self-Organization of 1-Propanol at H-ZSM-5 Brønsted Acid Sites
38. Are Water-lean Solvent Systems Viable for Post-Combustion CO2 Capture?
39. Integrated Solvent Design for CO2 Capture and Viscosity Tuning
40. Heterogeneous catalysis in complex, condensed reaction media
41. Single-Atom Catalysis: An Analogy between Heterogeneous and Homogeneous Catalysts
42. Dynamic Copper Site Redispersion through Atom Trapping in Zeolite Defects.
43. Cover Feature: Enhancing CO2 Transport Across a PEEK‐Ionene Membrane and Water‐Lean Solvent Interface (ChemSusChem 13/2023)
44. Dynamically Formed Active Sites on Liquid Boron Oxide for Selective Oxidative Dehydrogenation of Propane
45. Enhancing CO 2 Transport Across a PEEK‐Ionene Membrane and Water‐Lean Solvent Interface
46. Dynamic Evolution of Palladium Single Atoms on Anatase Titania Support Determines the Reverse Water–Gas Shift Activity
47. Steam reforming of hydrocarbons from biomass-derived syngas over MgAl2O4-supported transition metals and bimetallic IrNi catalysts
48. Proton Relay for the Rate Enhancement of Electrochemical Hydrogen Reactions at Heterogeneous Interfaces.
49. Competitive sorption of CO2 and H2O in 2:1 layer phyllosilicates
50. The role of sub-surface hydrogen on CO2 reduction and dynamics on Ni(110): An ab initio molecular dynamics study.
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