Search Results - "Blöndal, Katrín"

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    Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO2 Hydrogenation on Ni(111) by Kreitz, Bjarne, Sargsyan, Khachik, Blöndal, Katrín, Mazeau, Emily J, West, Richard H, Wehinger, Gregor D, Turek, Thomas, Goldsmith, C. Franklin

    Published in JACS Au (25-10-2021)
    “…Automatic mechanism generation is used to determine mechanisms for the CO2 hydrogenation on Ni(111) in a two-stage process while considering the correlated…”
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    Journal Article
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    Symptoms of anxiety and depression in surgical patients at the hospital, 6 weeks and 6 months postsurgery: A questionnaire study by Sveinsdóttir, Herdís, Zoëga, Sigríður, Ingadóttir, Brynja, Blöndal, Katrín

    Published in Nursing open (01-01-2021)
    “…Aims To describe prevalence of symptoms of anxiety and depression in surgical patients at three time points: at hospital postsurgery (T1), 6 weeks (T2) and…”
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    Journal Article
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    Configuration Space Integration for Adsorbate Partition Functions: The Effect of Anharmonicity on the Thermophysical Properties of CO–Pt(111) and CH3OH–Cu(111) by Blöndal, Katrín, Sargsyan, Khachik, Bross, David H., Ruscic, Branko, Goldsmith, C. Franklin

    Published in ACS catalysis (09-12-2022)
    “…A method for computing anharmonic thermophysical properties for adsorbates on metal surfaces has been extended to include libration, or frustrated rotation…”
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    Journal Article
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    Configuration Space Integration for Adsorbate Partition Functions: The Effect of Anharmonicity on the Thermophysical Properties of CO–Pt(111) and CH3OH–Cu(111) by Blöndal, Katrín, Sargsyan, Khachik, Bross, David H., Ruscic, Branko, Goldsmith, C. Franklin

    Published in ACS catalysis (06-01-2023)
    “…A method for computing anharmonic thermophysical properties for adsorbates on metal surfaces has been extended to include libration, or frustrated rotation…”
    Get full text
    Journal Article
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    Adsorbate Partition Functions via Phase Space Integration: Quantifying the Effect of Translational Anharmonicity on Thermodynamic Properties by Blöndal, Katrín, Sargsyan, Khachik, Bross, David H, Ruscic, Branko, Goldsmith, C. Franklin

    Published in Journal of physical chemistry. C (23-09-2021)
    “…A new method for computing anharmonic thermophysical properties for adsorbates on metal surfaces is presented. Classical Monte Carlo phase space integration is…”
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    Journal Article
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    Detailed Microkinetics for the Oxidation of Exhaust Gas Emissions through Automated Mechanism Generation by Kreitz, Bjarne, Lott, Patrick, Bae, Jongyoon, Blöndal, Katrín, Angeli, Sofia, Ulissi, Zachary W., Studt, Felix, Goldsmith, C. Franklin, Deutschmann, Olaf

    Published in ACS catalysis (16-09-2022)
    “…Emissions from vehicles contain a variety of pollutants that must be either oxidized or reduced efficiently in the catalytic converter. Improvements to the…”
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    Journal Article
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    Automated Mechanism Generation Using Linear Scaling Relationships and Sensitivity Analyses Applied to Catalytic Partial Oxidation of Methane by Mazeau, Emily J, Satpute, Priyanka, Blöndal, Katrín, Goldsmith, C. Franklin, West, Richard H

    Published in ACS catalysis (18-06-2021)
    “…Kinetic parameters for surface reactions can be predicted using a combination of density functional theory calculations, scaling relations, and machine…”
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    Journal Article
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    Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation by Liu, Mengjie, Grinberg Dana, Alon, Johnson, Matthew S, Goldman, Mark J, Jocher, Agnes, Payne, A. Mark, Grambow, Colin A, Han, Kehang, Yee, Nathan W, Mazeau, Emily J, Blondal, Katrin, West, Richard H, Goldsmith, C. Franklin, Green, William H

    “…In chemical kinetics research, kinetic models containing hundreds of species and tens of thousands of elementary reactions are commonly used to understand and…”
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    Patients' expectations and experiences of provided surgery‐related patient education: A descriptive longitudinal study by Blöndal, Katrín, Sveinsdóttir, Herdís, Ingadottir, Brynja

    Published in Nursing open (01-09-2022)
    “…Aims The aim of this study was to explore the educational expectations and experiences of surgical patients. Design Prospective, longitudinal, descriptive and…”
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    Journal Article
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    Praise matters: the influence of nurse unit managers' praise on nurses' practice, work environment and job satisfaction: a questionnaire study by Sveinsdottir, Herdís, Ragnarsdottir, Erla Dögg, Blondal, Katrín

    Published in Journal of advanced nursing (01-03-2016)
    “…Aim The aim of this study was to investigate the associations between praise from nurse unit managers and job satisfaction, professional practice, workload,…”
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    Journal Article
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    A European evaluation of the patients’ role in clinical education: A six-country cross sectional study by Koskinen, Sanna, Leino-Kilpi, Helena, Blöndal, Katrín, Brasaitė-Abromė, Indrė, Burke, Eimear, Fitzgerald, Serena, Fuster, Pilar, Kielė, Viktorija, Löyttyniemi, Eliisa, Salminen, Leena, Stubner, Juliane, Suikkala, Arja

    Published in Nurse education in practice (01-02-2022)
    “…The aim of this study was to analyse the patients’ role in clinical education in terms of facilitative student-patient relationship in Finland, Germany,…”
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    Journal Article
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    Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO 2 Hydrogenation on Ni(111) by Kreitz, Bjarne, Sargsyan, Khachik, Blöndal, Katrín, Mazeau, Emily J, West, Richard H, Wehinger, Gregor D, Turek, Thomas, Goldsmith, C Franklin

    Published in JACS Au (25-10-2021)
    “…Automatic mechanism generation is used to determine mechanisms for the CO hydrogenation on Ni(111) in a two-stage process while considering the correlated…”
    Get full text
    Journal Article
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    Surgical nurses' intention to leave a workplace in Iceland: a questionnaire study by Sveinsdottir, Herdís, Blondal, Katrín

    Published in Journal of nursing management (01-07-2014)
    “…Aim To explore surgical nurses’ reported determinants of intention to leave a workplace. Background Nurses’ work environment influences nurses’ intent to leave…”
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    Journal Article
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    Automatic mechanism generation involving kinetics of surface reactions with bidentate adsorbates by Kreitz, Bjarne, Blöndal, Katrín, Badger, Kirk, West, Richard H, Goldsmith, C. Franklin

    Published in Digital discovery (17-01-2024)
    “…The open-source Reaction Mechanism Generator (RMG) has been enhanced with new features to handle multidentate adsorbates. New reaction families have been added…”
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    Journal Article
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    The content of nurse unit managers’ work: a descriptive study using daily activity diaries by Sveinsdóttir, Herdís, Blöndal, Katrín, Jónsdóttir, Heiður Hrund, Bragadóttir, Helga

    Published in Scandinavian journal of caring sciences (01-06-2018)
    “…Background NUMs’ job description in Icelandic hospitals has been revised and now also includes managerial and financial responsibilities. Aim To describe the…”
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    Journal Article
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