527 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. Impact of Li disorder on the open cell voltage profile of LixTi6O13 anodes: A theoretical study
9. Computational investigation of the oxygen reduction reaction on the edges of differently-sized, shaped and terminated graphene nanoclusters
10. Self-grown Ag2O nanoparticles on Ag-NASICON material for efficient visible light photocatalysis
11. Understanding the atomistic behavior of small molecules (O2 and N2) on monometallic M13 nanoparticles
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. Crystalline structures of l-cysteine and l-cystine: a combined theoretical and experimental characterization
15. Structure−Reactivity Relationship of Ptn (n = 1,3,7) Nanoparticles Supported on (5,5) CNT: An Ab Initio Study
16. Elucidation of the IR of Cu and Mn substituted intraframework SiBEA zeolites
17. Theoretical study of Li2Ti6O13, Li2Sn6O13 and Li2Zr6O13 as possible cathode in Li-ion batteries
18. In situ synthesis of selfsupported Ag NPs on AgZr2(PO4)3 NASICON type phosphate: Application in catalytic reduction of 4-nitrophenol
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. Raman Characterization of Plastics: A DFT Study of Polystyrene.
26. Unraveling the nano-structure of a glassy CaO-FeO-SiO2 slag by molecular dynamics simulations
27. Lithium- and sodium-ion transport properties of Li2Ti6O13, Na2Ti6O13 and Li2Sn6O13
28. Stability of nanostructured silver-platinum alloys
29. New pigments based on carminic acid and smectites: A molecular investigation
30. Special Issue “Theoretical Calculation and Molecular Modeling of Nanomaterials”
31. Induced electronic changes at the fluorinated polyphenylthiols on nanostructured Au(1 1 1) interfaces
32. On the way of understanding the behavior of nanometer-scale metallic particles toward the adsorption of CO and NO molecules
33. Theoretical and experimental insight into zinc loading on mesoporous silica
34. 1,2,3-Benzotriazole derivatives adsorption on Cu(1 1 1) surface: A DFT study
35. On the Origin of Raman Activity in Anatase TiO2 (Nano)Materials: An Ab Initio Investigation of Surface and Size Effects
36. Rationalizing the formation of binary mixed thiol self-assembled monolayers
37. Investigation of Carbonate Substitution in Hydroxyapatite by Combining Solid‐state NMR and DFT Calculations.
38. List of Contributors
39. Characterization of Amorphous Silica-Based Materials Using DFT Computational Methods
40. Urolithiasis: What can we learn from a Nature which dysfunctions?
41. Shedding light on the morphology of calcium oxalate monohydrate crystallites present in kidney biopsies in the case of hyperoxaluria
42. Hyperoxaluria is related to whewellite and hypercalciuria to weddellite: What happens when crystalline conversion occurs?
43. Characterization of hydroxylated amorphous silica: a numerical approach
44. Understanding the Reactivity of Supported Late Transition Metals on a Bare Anatase (101) Surface: A Periodic Conceptual DFT Investigation
45. Reduction of chromia–silica catalysts: A molecular picture
46. Characterization of zeolitic intraframework molybdenum sites
47. Adsorption and self-assembly of bio-organic molecules at model surfaces: A route towards increased complexity
48. A molecular understanding of citrate adsorption on calcium oxalate polyhydrates
49. Operando characterization and DFT modelling of nanospinels: Some examples showing the relationship with catalytic activity
50. Catalytic properties of Au electrodes modified by an underlayer of Pd
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