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Number of items: 5.

Ungerer, Marietjie J., Santos-Carballal, David, Cadi-Essadek, Abdelaziz, van Sittert, Cornelia G. C. E. and de Leeuw, Nora H. 2020. Interaction of SO2 with the platinum (001), (011), and (111) surfaces: a DFT study. Catalysts 10 (5) , 558. 10.3390/catal10050558
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Ungerer, M. J., van Sittert, C. G. C. E., van der Westhuizen, D. J. and Krieg, H. M. 2019. DFT modelling of tantalum pentafluoride extraction with phosphorus-based extractants - A molecular dynamics study. Journal of Physics and Chemistry of Solids 135 , 109121. 10.1016/j.jpcs.2019.109121

Ungerer, Marietjie, Santos Carballal, David, Cadi, Abdelaziz, van Sittert, Cornelia G. C. E. and de Leeuw, Nora H. 2019. Interaction of H2O with the platinum Pt (001), (011), and (111) surfaces: a density functional theory study with long-range dispersion corrections. Journal of Physical Chemistry C 123 (45) , pp. 27465-27476. 10.1021/acs.jpcc.9b06136
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Ungerer, M. J., van der Westhuizen, D. J., Krieg, H. M. and van Sittert, C. G. C. E. 2019. Molecular modelling of tantalum fluoride in sulphuric acid medium: a DFT study. Journal of Molecular Liquids 288 , 111056. 10.1016/j.molliq.2019.111056

Ungerer, M. J., van Sittert, C. G. C. E., van der Westhuizen, D. J. and Krieg, H. M. 2016. Molecular modelling of tantalum penta-halides during hydrolysis and oxidation reactions. Computational and Theoretical Chemistry 1090 , pp. 112-119. 10.1016/j.comptc.2016.06.011

This list was generated on Sat Apr 10 04:06:53 2021 BST.