17 results on '"Hermansson, Kersti"'
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2. Dynamical and Structural Characterization of the Adsorption of Fluorinated Alkane Chains onto CeO2
3. Indirect-to-Direct Band Gap Transition of Si Nanosheets: Effect of Biaxial Strain
4. Hydrogen-Bond Relations for Surface OH Species
5. DFT-based Monte Carlo Simulations of Impurity Clustering at CeO2(111)
6. Self-Consistent-Charge Density-Functional Tight-Binding (SCC-DFTB) Parameters for Ceria in 0D to 3D
7. Detecting Important Intermediates in Pd Catalyzed Depolymerization of a Lignin Model Compound by a Combination of DFT Calculations and Constrained Minima Hopping
8. ReaxFF Force-Field for Ceria Bulk, Surfaces, and Nanoparticles
9. Simulation of IRRAS Spectra for Molecules on Oxide Surfaces: CO on TiO2(110)
10. Water-Induced Oxidation and Dissociation of Small Cu Clusters on ZnO(101̅0)
11. Sulfidation and Sulfur Recovery from SO2 over Ceria
12. Formic Acid on TiO2–x (110): Dissociation, Motion, and Vacancy Healing
13. Small Cu Clusters Adsorbed on ZnO(101̅0) Show Even–Odd Alternations in Stability and Charge Transfer
14. Sulfidation of Ceria Surfaces from Sulfur and Sulfur Diffusion
15. Investigation of Vibrational Modes and Phonon Density of States in ZnO Quantum Dots
16. Hydroxylation Structure and Proton Transfer Reactivity at the Zinc Oxide−Water Interface
17. Physisorbed, Chemisorbed, and Oxidized CO on Highly Active Cu−CeO2(111)
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