Computational chemistry
Cardiff Research Areas » Engineering and Physical Sciences » Tools technologies and methods » Tools for the biosciences
Subordinate Areas
Projects
Related Datasets
- Study of NaVOPO4 Polymorphs as Cathode Materials for Na-ion Batteries - Aparicio PA, Dawson JA, Islam MS, et al. (2018). Cardiff University. 10.17035/d.2018.0060727953. Computational chemistry Materials Sciences Batteries for Energy Storage
- Substitutional doping with Ag of the zinc oxide ZnO(0001) surface - dataset - Santos-Carballal D, Cadi-Essadek A, de Leeuw NH (2019). Cardiff University. 10.17035/d.2019.0081497456. Catalytic Mixed Oxides Computational chemistry Gas Sensors Materials sciences
- Substitutional doping with Ag of the zinc oxide ZnO(10-10) surfaces - data - Santos Carballal D, Cadi-Essadek A, de Leeuw NH (2020). Cardiff University. 10.17035/d.2019.0081500252. Catalytic Mixed Oxides Computational chemistry Gas Sensors Materials sciences
- Substitutional doping with Fe of the zinc oxide ZnO(10-10) surfaces - Santos-Carballal D, Cadi-Essadek A-A, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0054411689. Computational chemistry Materials Sciences Gas Sensors Catalytic Mixed Oxides
- The Carbonate-Catalysed Transesterification of Sunflower Oil for Biodiesel Production: In Situ Monitoring and Density Functional Theory Calculations - data - Nyepetsi M, Mbaiwa F, Oyetunji OA, et al. (2021). Cardiff University. 10.17035/d.2020.0112138531. Catalysis in Microemulsion Computational chemistry