Setiau Data Ymchwil (9)
Research Area
The mechanism and role of hydrogen in the functionalisation of carboxylic acid-protected cobalt nanoparticles - data - Farkas B, Terranova U, de Leeuw NH (2020). Cardiff University. 10.17035/d.2020.0121356877.
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.
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.
Predicting the membrane permeability of fentanyl and its analogues by molecular dynamics simulations - data - Faulkner C, de Leeuw NH (2021). Cardiff University. 10.17035/d.2021.0132083584.
Effect of coverage on the magnetic properties of -COOH,-SH, and -NH2 ligand-protected cobalt nanoparticles - data - Farkas B, de Leeuw NH (2021). Cardiff University. 10.17035/d.2021.0129122354.
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.
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.
Benchmarking of Copper(II) LFMM Parameters for Studying Amyloid-β Peptides - Mutter ST, Platts JA (2017). Cardiff University. 10.17035/d.2017.0033336918.