| A DFT+ U study of the oxidation of cobalt nanoparticles: Implications for biomedical applications B Farkaš, D Santos-Carballal, A Cadi-Essadek, NH De Leeuw Materialia 7, 100381, 2019 | 33 | 2019 |
| Binding modes of carboxylic acids on cobalt nanoparticles B Farkaš, U Terranova, NH De Leeuw Physical Chemistry Chemical Physics 22 (3), 985-996, 2020 | 28 | 2020 |
| Towards a morphology of cobalt nanoparticles: size and strain effects B Farkaš, NH De Leeuw Nanotechnology 31 (19), 195711, 2020 | 24 | 2020 |
| Adsorbate-induced segregation of cobalt from PtCo nanoparticles: modeling Au doping and core AuCo alloying for the improvement of fuel cell cathode catalysts B Farkaš, CB Perry, G Jones, NH de Leeuw The Journal of Physical Chemistry C 124 (33), 18321-18334, 2020 | 17 | 2020 |
| A Perspective on Modelling Metallic Magnetic Nanoparticles in Biomedicine: From Monometals to Nanoalloys and Ligand-Protected Particles B Farkaš, NH de Leeuw Magnetic Nanomaterials, 45-94, 2022 | 12 | 2022 |
| Effect of coverage on the magnetic properties of–COOH,–SH, and–NH 2 ligand-protected cobalt nanoparticles B Farkaš, NH de Leeuw Nanoscale 13 (27), 11844-11855, 2021 | 6 | 2021 |
| The mechanism underlying the functionalisation of cobalt nanoparticles by carboxylic acids: a first-principles computational study B Farkaš, U Terranova, NH de Leeuw Journal of Materials Chemistry B 9 (24), 4915-4928, 2021 | 6 | 2021 |
| First-principles DFT insights into the structural, elastic, and optoelectronic properties of α and β-ZnP2: implications for photovoltaic applications A Živković, B Farkaš, V Uahengo, NH De Leeuw, NY Dzade Journal of Physics: Condensed Matter 31 (26), 265501, 2019 | 6 | 2019 |
| Novel design of dual-action Pt (IV) anticancer pro-drugs based on cisplatin and derivatives of the tyrosine kinase inhibitors imatinib and nilotinib DF Beirne, B Farkaš, C Donati, V Gandin, I Rozas, T Velasco-Torrijos, ... Dalton Transactions 52 (39), 14110-14122, 2023 | 3 | 2023 |
| A Tale of Two Proteases: MPro and TMPRSS2 as Targets for COVID-19 Therapies B Farkaš, M Minneci, M Misevicius, I Rozas Pharmaceuticals 16 (6), 834, 2023 | 2 | 2023 |
| AuCo nanoparticles: ordering, magnetisation, and morphology trends predicted by DFT B Farkaš, NH de Leeuw Physical Chemistry Chemical Physics 24 (17), 10451-10464, 2022 | 1 | 2022 |
| Insights from density functional theory calculations into the effects of the adsorption and dissociation of water on the surface properties of zinc diphosphide (ZnP 2) nanocrystals B Farkaš, A Živković, V Uahengo, NY Dzade, NH De Leeuw Physical Chemistry Chemical Physics 23 (46), 26482-26493, 2021 | 1 | 2021 |
| First-Principles DFT Insights into the Stabilization of Zinc Diphosphide (ZnP2) Nanocrystals via Surface Functionalization by 4-Aminothiophenol for Photovoltaic … B Farkas, A Zivkovic, V Uahengo, NY Dzade, NH de Leeuw ACS Applied Energy Materials 5 (2), 2318-2328, 2022 | | 2022 |
| Computational nano-materials and catalysis: Modelling of structural and magnetic properties of bare and ligand-protected cobalt nanoparticles B Farkas Cardiff University, 2021 | | 2021 |
| DETERMINATION OF CARBOHYDRATES AND AMINO ACIDS IN COMPLEX MATRICES B Farkaš, Š Ukić, T Bolanča 17 th International Chromatography School, 35-35, 2017 | | 2017 |
NH de LeeuwProfessor of Computational Chemistry, University of Leeds, UK; Utrecht University, The NetherlandsEmail verificata su leeds.ac.uk
