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Fletta eftir efnisorði "Catalysis"
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(University of Iceland, School of Engineering and Natural Sciences, Faculty of Physical Sciences, 2021-05-28)The oxygen reduction reaction (ORR) is of central importance in the development of more efficient and durable fuel cells and computer simulations can be used to help explain and predict properties of ORR catalysts. In this thesis, various simulation methods ... -
(University of Iceland, School of Engineering and Natural Sciences, Faculty of Industrial Eng., Mechanical Eng. and Computer Science, 2024-06)The global climate crisis poses one of the most pressing challenges of our time, affecting diverse sectors and demanding urgent attention from scientists, policymakers, and stakeholders. Addressing the multifaceted environmental, political, societal, ...
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(MDPI AG, 2020-08-15)Nowadays, advancements in the oncology sector regarding diagnosis methods allow us to specifically detect an increased number of cancer patients, some of them in incipient stages. However, one of the main issues consists of the invasive character of ...
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(University of Iceland, School of Engineering and Natural Sciences, Faculty of Industrial Eng., Mechanical Eng. and Computer Science, 2023-11-30)The effects of global warming are being felt around the world, with extreme weather events occurring ever more frequently. Accelerating the ongoing transition towards renewable energy resources, both in transportation and industry, is of vital ...
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(Royal Society of Chemistry (RSC), 2018)A new 1.2 Å crystal structure of vanadium nitrogenase, isolated under turnover conditions, recently revealed a light atom ligand (OH or NH) replacing the bridging S2B sulfide of the FeV cofactor. QM/MM calculations on the new structure now reveal the ...
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