Research Datasets (6)

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Copper oxide for potential photovoltaic application - density functional theory simulation datasets - Živković A, Roldan A, de Leeuw NH (2018). Cardiff University. 10.17035/d.2017.0043151204.
Computational insights into the photovoltaic potential of zinc diphosphides - dataset - Živković A, Farkaš B, Dzade NY, Uahengo V, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0054381131.
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.
Codes for "Computing diffusivities from particle models out of equilibrium" - Zimmer J, Embacher PA, Dirr M, Reina C (2018). Cardiff University. 10.15125/BATH-00488.
CO2 and H2 Adsorption and Reaction at Nin/YSZ(111) Interfaces: a Density Functional Theory Study - Cadi-Essadek A, Roldan A, Aparicio-Anglès X, de Leeuw NH (2018). Cardiff University. 10.17035/d.2018.0055070812.
Catalysts for production of high value chemicals from bio-derived sustainable waste streams - Smith PJ (2018). Cardiff University. 10.17035/d.2018.0063863548.
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