537 results on '"Tielens, Frederik"'
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2. Urinary tract infection inducing stones: some clinical and chemical data
3. Peculiar opportunities given by XPS spectroscopy for the clinician
4. Cystinuria and cystinosis are usually related to L-cystine: is this really the case for cystinosis? A physicochemical investigation at micrometre and nanometre scale
5. Scanning electron microscopy—a powerful imaging technique for the clinician
6. Opportunities given by density functional theory in pathological calcifications
7. Whitlockite structures in kidney stones indicate infectious origin: a scanning electron microscopy and Synchrotron Radiation investigation
8. Understanding the atomistic behavior of small molecules (O2 and N2) on monometallic M13 nanoparticles
9. Impact of Li disorder on the open cell voltage profile of LixTi6O13 anodes: A theoretical study
10. Computational investigation of the oxygen reduction reaction on the edges of differently-sized, shaped and terminated graphene nanoclusters
11. Self-grown Ag2O nanoparticles on Ag-NASICON material for efficient visible light photocatalysis
12. Elucidating the impact of chemical variability on the nano-structure of Fe-rich slags
13. Investigation of electronic and photocatalytic properties of AgTi2(PO4)3 NASICON-type phosphate: Combining experimental data and DFT calculations
14. Theoretical study of Li2Ti6O13, Li2Sn6O13 and Li2Zr6O13 as possible cathode in Li-ion batteries
15. Crystalline structures of l-cysteine and l-cystine: a combined theoretical and experimental characterization
16. In situ synthesis of selfsupported Ag NPs on AgZr2(PO4)3 NASICON type phosphate: Application in catalytic reduction of 4-nitrophenol
17. Structure−Reactivity Relationship of Ptn (n = 1,3,7) Nanoparticles Supported on (5,5) CNT: An Ab Initio Study
18. Elucidation of the IR of Cu and Mn substituted intraframework SiBEA zeolites
19. Self-supported Ag nanoparticles on AgTi2(PO4)3 for hazardous dyes reduction in industrial wastewater
20. Study on the biological behaviors of Ca[sbnd]P coatings with different morphology on carbon/carbon composites
21. Trapping of Ag+, Cu2+, and Co2+ by faujasite zeolite Y: New interpretations of the adsorption mechanism via DFT and statistical modeling investigation
22. Mapping surface segregation of single-atom Pt dispersed in M surfaces (M = Cu, Ag, Au, Ni, Pd, Co, Rh and Ir) under hydrogen pressure at various temperatures
23. Water-silanol interactions on the amorphous silica surface: A dispersion-corrected DFT investigation
24. Effect of sprayed techniques on the surface microstructure and in vitro behavior of nano-HAp coatings
25. Unravelling phosphate adsorption on hydrous ferric oxide surfaces at the molecular level
26. Characterization of amorphous silica based catalysts using DFT computational methods
27. A subtle balance between interchain interactions and surface reconstruction at the origin of the alkylthiol/Au(111) self-assembled monolayer geometry
28. The importance of residual water for the reactivity of MPTMS with silica on the example of SBA-15
29. Unraveling the nano-structure of a glassy CaO-FeO-SiO2 slag by molecular dynamics simulations
30. Lithium- and sodium-ion transport properties of Li2Ti6O13, Na2Ti6O13 and Li2Sn6O13
31. Stability of nanostructured silver-platinum alloys
32. New pigments based on carminic acid and smectites: A molecular investigation
33. Unravelling the GLY-PRO-GLU tripeptide induced reconstruction of the Au(110) surface at the molecular scale
34. Induced electronic changes at the fluorinated polyphenylthiols on nanostructured Au(1 1 1) interfaces
35. On the way of understanding the behavior of nanometer-scale metallic particles toward the adsorption of CO and NO molecules
36. Theoretical and experimental insight into zinc loading on mesoporous silica
37. 1,2,3-Benzotriazole derivatives adsorption on Cu(1 1 1) surface: A DFT study
38. Cysteine-montmorillonite composites for heavy metal cation complexation: A combined experimental and theoretical study
39. Raman Characterization of Plastics: A DFT Study of Polystyrene.
40. Characterization of hydroxylated amorphous silica: a numerical approach
41. Special Issue “Theoretical Calculation and Molecular Modeling of Nanomaterials”
42. Urolithiasis: What can we learn from a Nature which dysfunctions?
43. Shedding light on the morphology of calcium oxalate monohydrate crystallites present in kidney biopsies in the case of hyperoxaluria
44. Hyperoxaluria is related to whewellite and hypercalciuria to weddellite: What happens when crystalline conversion occurs?
45. Reduction of chromia–silica catalysts: A molecular picture
46. Characterization of zeolitic intraframework molybdenum sites
47. List of Contributors
48. Characterization of Amorphous Silica-Based Materials Using DFT Computational Methods
49. Understanding the Reactivity of Supported Late Transition Metals on a Bare Anatase (101) Surface: A Periodic Conceptual DFT Investigation
50. Understanding the Reactivity of Supported Late Transition Metals on a Bare Anatase (101) Surface: A Periodic Conceptual DFT Investigation
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