Research Datasets (6)

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Tautomerization of Phenol at the External Lewis Acid Sites of Sc-, Fe- and Ga-substituted Zeolite MFI - Hernandez-Tamargo C, Roldan A, de Leeuw NH (2017). Cardiff University. 10.17035/d.2017.0031746452.
Interaction of SO2 with the Platinum (001), (011) and (111) Surfaces: A DFT Study - data - Ungerer MJ, Santos-Carballal D, Cadi-Essadek A, van Sittert CGCE, de Leeuw NH, (2020). Cardiff University. 10.17035/d.2020.0102392045.
Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1-xMn2O4 spinel (0.000 < x < 0.375) - data - Ramogayana B, Santos Carballal D, Aparicio Sanchez P, Quesne M, Maenetja KP, Ngoepe PE, de Leeuw NH (2019). Cardiff University. 10.17035/d.2019.0085116020.
Density Functional Theory Modelling of the Zeolite-mediated Tautomerization of Phenol and Catechol - Hernandez-Tamargo CE, Roldan A, de Leeuw NH (2018). Cardiff University. 10.17035/d.2016.0010313443.
CO₂ interaction with the violarite FeNi₂S₄{001} and {111} surfaces - Posada-Pérez S, Santos-Carballal D, Terranova U, Roldan A, Illas F, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0046360243.
Charge transfers of CO₂ on the {001} and {111} surfaces of magnetite (Fe₃O₄) - Santos Carballal D, Roldan A, de Leeuw NH (2017). Cardiff University. 10.17035/d.2017.0038094480.
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