Adsorbate-Induced Segregation of Cobalt from PtCo Nanoparticles: Modeling Au Doping and Core AuCo Alloying for the Improvement of Fuel Cell Cathode Catalysts von Farkaš, Barbara, Perry, Christopher B, Jones, Glenn, de Leeuw, Nora H

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Towards a morphology of cobalt nanoparticles: size and strain effects von Farkaš, Barbara, de Leeuw, Nora H

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Binding modes of carboxylic acids on cobalt nanoparticles von Farkaš, Barbara, Terranova, Umberto, de Leeuw, Nora H

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A Tale of Two Proteases: MPro and TMPRSS2 as Targets for COVID-19 Therapies von Farkaš, Barbara, Minneci, Marco, Misevicius, Matas, Rozas, Isabel

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Novel design of dual-action Pt() anticancer pro-drugs based on cisplatin and derivatives of the tyrosine kinase inhibitors imatinib and nilotinib von Beirne, Darren Fergal, Farkaš, Barbara, Donati, Chiara, Gandin, Valentina, Rozas, Isabel, Velasco-Torrijos, Trinidad, Montagner, Diego

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AuCo nanoparticles: ordering, magnetisation, and morphology trends predicted by DFT von Farkaš, Barbara, de Leeuw, Nora H

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Effect of coverage on the magnetic properties of –COOH, –SH, and –NH2 ligand-protected cobalt nanoparticles von Farkaš, Barbara, de Leeuw, Nora H

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Effect of coverage on the magnetic properties of -COOH, -SH, and -NH ligand-protected cobalt nanoparticles von Farkaš, Barbara, de Leeuw, Nora H

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Effect of coverage on the magnetic properties of –COOH, –SH, and –NH 2 ligand-protected cobalt nanoparticles von Farkaš, Barbara, de Leeuw, Nora H.

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A Perspective on Modelling Metallic Magnetic Nanoparticles in Biomedicine: From Monometals to Nanoalloys and Ligand-Protected Particles von Farkaš, Barbara, de Leeuw, Nora H

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Towards a morphology of cobalt nanoparticles: Size and strain effects von Farkaš, Barbara, De Leeuw, Nora H

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The mechanism underlying the functionalisation of cobalt nanoparticles by carboxylic acids: a first-principles computational study von Farkaš, Barbara, Terranova, Umberto, de Leeuw, Nora H

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Insights from density functional theory calculations into the effects of the adsorption and dissociation of water on the surface properties of zinc diphosphide (ZnP) nanocrystals von Farkaš, Barbara, ivkovi, Aleksandar, Uahengo, Veikko, Dzade, Nelson Y, de Leeuw, Nora H

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First-principles DFT insights into the structural, elastic, and optoelectronic properties of α and β-ZnP2: implications for photovoltaic applications von ivkovi, Aleksandar, Farkaš, Barbara, Uahengo, Veikko, de Leeuw, Nora H, Dzade, Nelson Y

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First-Principles DFT Insights into the Stabilization of Zinc Diphosphide (ZnP2) Nanocrystals via Surface Functionalization by 4‑Aminothiophenol for Photovoltaic Applications von Farkaš, Barbara, Živković, Aleksandar, Uahengo, Veikko, Dzade, Nelson Y, de Leeuw, Nora H

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Binding modes of carboxylic acids on cobalt nanoparticles von Farkaš, Barbara, Terranova, Umberto, De Leeuw, Nora H

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A DFT+U study of the oxidation of cobalt nanoparticles: Implications for biomedical applications von Farkaš, Barbara, Santos-Carballal, David, Cadi-Essadek, Abdelaziz, de Leeuw, Nora H.

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A Tale of Two Proteases: M Pro and TMPRSS2 as Targets for COVID-19 Therapies von Farkaš, Barbara, Minneci, Marco, Misevicius, Matas, Rozas, Isabel

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A Tale of Two Proteases: M[sup.Pro] and TMPRSS2 as Targets for COVID-19 Therapies von Farkaš, Barbara, Minneci, Marco, Misevicius, Matas, Rozas, Isabel

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First-principles DFT insights into the structural, elastic, and optoelectronic properties of α and β-ZnP 2 : implications for photovoltaic applications von Živković, Aleksandar, Farkaš, Barbara, Uahengo, Veikko, de Leeuw, Nora H, Dzade, Nelson Y

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