Research Datasets (6)

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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.
Quantum Chemical Molecular Dynamics and Metadynamics Simulation of Aluminium Binding to Amyloid-Beta and Related Peptides - data - Platts J (2019). Cardiff University. 10.1098/rsos.191562.
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.
Benchmarking of Copper(II) LFMM Parameters for Studying Amyloid-β Peptides - Mutter ST, Platts JA (2017). Cardiff University. 10.17035/d.2017.0033336918.
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.
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.

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.

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.

Benchmarking of Copper(II) LFMM Parameters for Studying Amyloid-β Peptides - Mutter ST, Platts JA (2017). Cardiff University. 10.17035/d.2017.0033336918.

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.

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