59 results on '"Hermansson, Kersti"'
Search Results
2. Multiparametric analysis by paper-assisted potentiometric sensors for diagnostic and monitoring of reinforced concrete structures
3. Thermodynamics of dissociated water motifs at oxide-bulk water interfaces: The TiO2 anatase (0 0 1) case
4. Multiparametric analysis by paper-assisted potentiometric sensors for diagnostic and monitoring of reinforced concrete structures
5. Regulation of CO oxidation with Pd additives on Nb2CO2 MXene
6. Simulated temperature programmed desorption experiments for nanoceria powders
7. Effects of H-bond asymmetry on the electronic properties of liquid water – An AIMD analysis
8. Screen-printed electrode as a cost-effective and miniaturized analytical tool for corrosion monitoring of reinforced concrete
9. How can we detect hydrogen bond local cooperativity in liquid water: A simulation study
10. Surface binding energies of beryllium/tungsten alloys
11. Large-scale SCC-DFTB calculations of reconstructed polar ZnO surfaces
12. A gold cyano complex in nitromethane: MD simulation and X-ray diffraction
13. The vibrating hydroxide ion in water
14. Cu-doped ceria: Oxygen vacancy formation made easy
15. Water adsorption on stepped ZnO surfaces from MD simulation
16. Assessment methods for embedding schemes – Ceria as an example
17. Electron correlation contribution to the /ceria(111) interaction
18. Ab initio calculations of CO physisorption on ceria(111)
19. Oxygen vacancy pairs on CeO2(110): A DFT+U study
20. Facilitated vacancy formation at Zr-doped ceria(111) surfaces
21. A reactive force field (ReaxFF) for zinc oxide
22. The electronic and reduction properties of Ce0.75Zr0.25O2(110)
23. Surface properties of rutile TiO2(110) from molecular dynamics and lattice dynamics at 300K: Variable-charge model results
24. Oxygen vacancy formation energy at the Pd/CeO2(111) interface
25. Correlations between magnetic properties and bond formation in Rh–MgO(0 0 1)
26. Adsorption of NO on unreduced and reduced CeO2 surfaces: A plane-wave DFT study
27. CO adsorption on CeO2(110) using hybrid-DFT embedded-cluster calculations
28. Electronic structure of the CeO2(110) surface oxygen vacancy
29. An ab initio study of CO adsorption on ceria(110)
30. Molecular dynamics simulation of lithium iodide in liquid dimethylsulfoxide
31. Strong and weak adsorption of CO on CeO2 surfaces from first principles calculations
32. DFT plane-wave calculations of the Rh/MgO(001) interface
33. Derivation and evaluation of a flexible SPC model for liquid water
34. The solvation of Li+ and Na+ in acetonitrile from ab initio-derived many-body ion–solvent potentials
35. Molecular dynamics simulations of reduced CeO2: bulk and surfaces
36. Ab initio study of the interaction of dimethylsulfoxide with the ions Li+ and I−
37. MD+QM calculations of the OH vibrational stretching band in an aqueous aluminium(III) chloride solution
38. Molecular dynamics simulations of an Al2O3(0001⊥, 0-10∥)/CeO2 (011⊥, 01-1∥) interface system
39. Metal oxide surface dynamics from molecular dynamics simulations: the α-Al2O3(0001) surface
40. MD simulations of a doped ceria surface – very large surface ion motion
41. Dynamics, structure and energetics of the (111), (011) and (001) surfaces of ceria
42. Hartree–Fock and DFT calculations of quadrupole coupling constants in water clusters and ice
43. The problem of the detaching shell in the shell model potential for oxides
44. Pressure dependence and activation volume for the water exchange mechanism in NaCl(aq) from MD simulations
45. A molecular dynamics study of MgO (111) slabs
46. A simulated X-ray diffraction study of liquid water: beyond the spherical-atom approximation
47. Polymer electrolytes based on triblock-copoly(oxyethylene/oxypropylene/oxyethylene) systems
48. OH bonds in electric fields: electron densities and vibrational frequency shifts
49. Non-additivity of OH frequency shifts in ion-water systems
50. Theoretical simulation of OH and OD stretching bands of isotopically diluted HDO molecules in aqueous solution
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.