Title: Integrated computational solutions for catalysis
Funder
Engineering and Physical Sciences Research Council
Principal Investigator
Co-Investigators
Catlow, Richard
Project Details
Net value award figure for Cardiff University: £1,005,687.00
Start date: 01/04/2015
End date: 30/11/2019
Related Datasets
2 of 5
- Density Functional Theory Modelling of the Zeolite-mediated Tautomerization of Phenol and Catechol (2018)
- DFT Modeling of the Adsorption of Trimethylphosphine Oxide at the internal and External Surfaces of Zeolite MFI (2016)
- Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1-xMn2O4 spinel (0.000 < x < 0.375) - data (2019)
- Individual adsorption of arsenate and phosphate species on the magnetite Fe₃O₄(001) surface - data (2021)
- Interaction of H2O with the platinum Pt (001), (011) and (111) surfaces: a density functional theory study with long-range dispersion corrections - data (2019)
