검색결과 : 46건
| No. | Article |
|---|---|
| 1 |
Simulated temperature programmed desorption experiments for nanoceria powders Du D, Kullgren J, Kocmaruk B, Hermansson K, Broqvist P Journal of Catalysis, 384, 252, 2020 |
| 2 |
Interaction Energies in Complexes of Zn and Amino Acids: A Comparison of Ab Initio and Force Field Based Calculations Ahlstrand E, Hermansson K, Friedman R Journal of Physical Chemistry A, 121(13), 2643, 2017 |
| 3 |
A gold cyano complex in nitromethane: MD simulation and X-ray diffraction Probst M, Injan N, Megyes T, Bako I, Balint S, Limtrakul J, Nazmutdinov R, Mitev PD, Hermansson K Chemical Physics Letters, 539, 24, 2012 |
| 4 |
Cu-doped ceria: Oxygen vacancy formation made easy Lu ZS, Yang ZX, He BL, Castleton C, Hermansson K Chemical Physics Letters, 510(1-3), 60, 2011 |
| 5 |
The vibrating hydroxide ion in water Hermansson K, Bopp PA, Spangberg D, Pejov L, Bako I, Mitev PD Chemical Physics Letters, 514(1-3), 1, 2011 |
| 6 |
Structure and Dynamics of Water Dangling OH Bonds in Hydrophobic Hydration Shells. Comparison of Simulation and Experiment Tomlinson-Phillips J, Davis J, Ben-Amotz D, Spangberg D, Pejov L, Hermansson K Journal of Physical Chemistry A, 115(23), 6177, 2011 |
| 7 |
Development and Validation of a ReaxFF Reactive Force Field for Cu Cation/Water Interactions and Copper Metal/Metal Oxide/Metal Hydroxide Condensed Phases van Duin ACT, Bryantsev VS, Diallo MS, Goddard WA, Rahaman O, Doren DJ, Raymand D, Hermansson K Journal of Physical Chemistry A, 114(35), 9507, 2010 |
| 8 |
The electronic and reduction properties of Ce0.75Zr0.25O2(110) Yang ZX, Fu ZM, Wei YW, Hermansson K Chemical Physics Letters, 450(4-6), 286, 2008 |
| 9 |
Origin of the OH Vibrational Blue Shift in the LiOH Crystal Hermansson K, Gajewski G, Mitev PD Journal of Physical Chemistry A, 112(51), 13487, 2008 |
| 10 |
Molecular dynamics study of oxygen self-diffusion in reduced CeO2 Gotte A, Spangberg D, Hermansson K, Baudin M Solid State Ionics, 178(25-26), 1421, 2007 |