A Perspective on Modelling Metallic Magnetic Nanoparticles in Biomedicine: From Monometals to Nanoalloys and Ligand-Protected Particles

by Barbara Farkaš, Nora H. de Leeuw
Published 2021-06-01

Activating the FeS (001) Surface for CO₂ Adsorption and Reduction through the Formation of Sulfur Vacancies: A DFT-D3 Study

by Nelson Y. Dzade, Nora H. de Leeuw
Published 2021-01-01

A Density Functional Theory Study of the Adsorption of Benzene on Hematite (α-Fe2O3) Surfaces

by Nelson Y. Dzade, Alberto Roldan, Nora H. de Leeuw
Published 2014-02-01

Structural and Optical Properties of ZnO Thin Films Prepared by Molecular Precursor and Sol–Gel Methods

by Theopolina Amakali, Likius. S. Daniel, Veikko Uahengo, Nelson Y. Dzade, Nora H. de Leeuw
Published 2020-02-01

Advances in Sustainable Catalysis: A Computational Perspective

by Matthew G. Quesne, Fabrizio Silveri, Nora H. de Leeuw, C. Richard A. Catlow
Published 2019-04-01

First Steps towards Understanding the Non-Linear Impact of Mg on Calcite Solubility: A Molecular Dynamics Study

by Janou A. Koskamp, Sergio E. Ruiz Hernandez, Nora H. De Leeuw, Mariette Wolthers
Published 2021-04-01

Molecular Dynamics Simulations of Hydroxyapatite Nanopores in Contact with Electrolyte Solutions: The Effect of Nanoconfinement and Solvated Ions on the Surface Reactivity and the...

by Devis Di Tommaso, Muthuramalingam Prakash, Thibault Lemaire, Marius Lewerenz, Nora H. de Leeuw, Salah Naili
Published 2017-02-01

Changes in CO₂ Adsorption Affinity Related to Ni Doping in FeS Surfaces: A DFT-D3 Study

by Aleksandar Zivković, Michiel Somers, Eloi Camprubi, Helen E. King, Mariette Wolthers, Nora H. de Leeuw
Published 2021-04-01

Glucosepane is associated with changes to structural and physical properties of collagen fibrils

by Anthony Nash, Maria Notou, Andrea F. Lopez-Clavijo, Laurent Bozec, Nora H. de Leeuw, Helen L. Birch
Published 2019-11-01

Interaction of SO₂ with the Platinum (001), (011), and (111) Surfaces: A DFT Study

by Marietjie J. Ungerer, David Santos-Carballal, Abdelaziz Cadi-Essadek, Cornelia G.C.E. van Sittert, Nora H. de Leeuw
Published 2020-05-01

A highly reactive precursor in the iron sulfide system

by Adriana Matamoros-Veloza, Oscar Cespedes, Benjamin R. G. Johnson, Tomasz M. Stawski, Umberto Terranova, Nora H. de Leeuw, Liane G. Benning
Published 2018-08-01

Influence of Topology and Brønsted Acid Site Presence on Methanol Diffusion in Zeolites Beta and MFI

by Cecil H. Botchway, Richard Tia, Evans Adei, Alexander J. O’Malley, Nelson Y. Dzade, Carlos Hernandez-Tamargo, Nora H. de Leeuw
Published 2020-11-01