Systems modelling
Meysydd Ymchwil Caerdydd » Gwyddorau Biodechnoleg a Biolegol » Tools technologies and methods » Theoretical biology
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- Competitive Adsorption of H2O and SO2 on the Catalytic Platinum Surfaces: A Density Functional Theory Study - data - Ungerer Marietjie J, Santos-Carballal David, Cadi-Essadek Abdel-Aziz, et al. (2023). Cardiff University. 10.17035/d.2020.0102392217. Simulations Adsorption Molecular interactions Data analysis Systems modelling
- Interaction of H2O with the platinum Pt (001), (011) and (111) surfaces: a density functional theory study with long-range dispersion corrections - data - Ungerer MJ, Santos-Carballal D, Cadi-Essadek A, et al. (2019). Cardiff University. 10.17035/d.2019.0068143277. Organometallic complexes Simulations Molecular interactions Data analysis Systems modelling