Showing 1 - 20 results of 22 for search 'Nora H. de Leeuw', query time: 0.05s Refine Results
  1. 1
    A Perspective on Modelling Metallic Magnetic Nanoparticles in Biomedicine: From Monometals to Nanoalloys and Ligand-Protected Particles

    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
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  2. 2
    Computational Insights into Ru, Pd and Pt <i>fcc</i> Nano-Catalysts from Density Functional Theory Calculations: The Influence of Long-Range Dispersion Corrections

    Computational Insights into Ru, Pd and Pt <i>fcc</i> Nano-Catalysts from Density Functional Theory Calculations: The Influence of Long-Range Dispersion Corrections by Marietjie J. Ungerer, Nora H. De Leeuw

    Published 2022-10-01
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  3. 3
    Activating the FeS (001) Surface for CO<sub>2</sub> Adsorption and Reduction through the Formation of Sulfur Vacancies: A DFT-D3 Study

    Activating the FeS (001) Surface for CO<sub>2</sub> 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
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  4. 4
    A DFT Study of Ruthenium <i>fcc</i> Nano-Dots: Size-Dependent Induced Magnetic Moments

    A DFT Study of Ruthenium <i>fcc</i> Nano-Dots: Size-Dependent Induced Magnetic Moments by Marietjie J. Ungerer, Nora H. de Leeuw

    Published 2023-03-01
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  5. 5
    Evaluating the Effect of <sup>18</sup>O Incorporation on the Vibrational Spectra of Vaterite and Calcite

    Evaluating the Effect of <sup>18</sup>O Incorporation on the Vibrational Spectra of Vaterite and Calcite by Helen E. King, Aleksandar Živković, Nora H. de Leeuw

    Published 2022-12-01
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  6. 6
    Density Functional Theory Study of the Hydrogenation of Carbon Monoxide over the Co (001) Surface: Implications for the Fischer–Tropsch Process

    Density Functional Theory Study of the Hydrogenation of Carbon Monoxide over the Co (001) Surface: Implications for the Fischer–Tropsch Process by Mostafa Torkashvand, Saeedeh Sarabadani Tafreshi, Nora H. de Leeuw

    Published 2023-05-01
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  7. 7
    A DFT Study of Alkaline Earth Metal-Doped FAPbI<sub>3</sub> (111) and (100) Surfaces

    A DFT Study of Alkaline Earth Metal-Doped FAPbI<sub>3</sub> (111) and (100) Surfaces by Maryam RaeisianAsl, Saeedeh Sarabadani Tafreshi, Nora H. de Leeuw

    Published 2023-01-01
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  8. 8
    C-H versus C-O Addition: A DFT Study of the Catalytic Cleavage of the β-O-4 Ether Linkage in Lignin by Iridium and Cobalt Pincer Complexes

    C-H versus C-O Addition: A DFT Study of the Catalytic Cleavage of the β-O-4 Ether Linkage in Lignin by Iridium and Cobalt Pincer Complexes by Mary Mensah, Richard Tia, Evans Adei, Nora H. de Leeuw

    Published 2023-04-01
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  9. 9
    Photocatalytic Degradation of Rhodamine B Dye and Hydrogen Evolution by Hydrothermally Synthesized NaBH4—Spiked ZnS Nanostructures

    Photocatalytic Degradation of Rhodamine B Dye and Hydrogen Evolution by Hydrothermally Synthesized NaBH4—Spiked ZnS Nanostructures by Theopolina Amakali, Aleksandar Živković, Aleksandar Živković, Michael E. A. Warwick, Daniel R. Jones, Charles W. Dunnill, Likius S. Daniel, Likius S. Daniel, Veikko Uahengo, Claire E. Mitchell, Nelson Y. Dzade, Nora H. de Leeuw, Nora H. de Leeuw, Nora H. de Leeuw

    Published 2022-04-01
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  10. 10
    Understanding the Interactions between Triolein and Cosolvent Binary Mixtures Using Molecular Dynamics Simulations

    Understanding the Interactions between Triolein and Cosolvent Binary Mixtures Using Molecular Dynamics Simulations by Maipelo Nyepetsi, Foster Mbaiwa, Olayinka A. Oyetunji, Nora H. de Leeuw

    Published 2022-03-01
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  11. 11
    A Review of Theoretical Studies on Carbon Monoxide Hydrogenation via Fischer–Tropsch Synthesis over Transition Metals

    A Review of Theoretical Studies on Carbon Monoxide Hydrogenation via Fischer–Tropsch Synthesis over Transition Metals by Maryam Jamaati, Mostafa Torkashvand, Saeedeh Sarabadani Tafreshi, Nora H. de Leeuw

    Published 2023-09-01
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  12. 12
    Atomistic Molecular Dynamics Simulations of Propofol and Fentanyl in Phosphatidylcholine Lipid Bilayers

    Atomistic Molecular Dynamics Simulations of Propofol and Fentanyl in Phosphatidylcholine Lipid Bilayers by Christopher Faulkner, David Santos-Carballal, David F. Plant, Nora H. de Leeuw

    Published 2020-06-01
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  13. 13
    Advances in Sustainable Catalysis: A Computational Perspective

    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
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  14. 14
    Structural and Optical Properties of ZnO Thin Films Prepared by Molecular Precursor and Sol–Gel Methods

    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
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  15. 15
    First Steps towards Understanding the Non-Linear Impact of Mg on Calcite Solubility: A Molecular Dynamics Study

    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
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  16. 16
    Changes in CO<sub>2</sub> Adsorption Affinity Related to Ni Doping in FeS Surfaces: A DFT-D3 Study

    Changes in CO<sub>2</sub> Adsorption Affinity Related to Ni Doping in FeS Surfaces: A DFT-D3 Study by Aleksandar Živković, Michiel Somers, Eloi Camprubi, Helen E. King, Mariette Wolthers, Nora H. de Leeuw

    Published 2021-04-01
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  17. 17
    Molecular Dynamics Simulations of Hydroxyapatite Nanopores in Contact with Electrolyte Solutions: The Effect of Nanoconfinement and Solvated Ions on the Surface Reactivity and the Structural, Dynamical, and Vibrational Properties of Water

    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
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  18. 18
    Thermodynamic and Kinetic Study of Carbon Dioxide Hydrogenation on the Metal-Terminated Tantalum-Carbide (111) Surface: A DFT Calculation

    Thermodynamic and Kinetic Study of Carbon Dioxide Hydrogenation on the Metal-Terminated Tantalum-Carbide (111) Surface: A DFT Calculation by Saeedeh Sarabadani Tafreshi, S. Fatemeh. K. S. Panahi, Narges Taghizade, Maryam Jamaati, Mahkameh Ranjbar, Nora H. de Leeuw

    Published 2022-10-01
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  19. 19
    Glucosepane is associated with changes to structural and physical properties of collagen fibrils

    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
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  20. 20
    Interaction of SO<sub>2</sub> with the Platinum (001), (011), and (111) Surfaces: A DFT Study

    Interaction of SO<sub>2</sub> 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
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