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Browsing by Subject "Efnafræði"
Now showing items 1-20 of 44
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(University of Iceland, School of Engineering and Natural Sciences, Faculty of Physical Sciences, 2019-09-02)An active field of research in magnetism today involves studies of solitons -- localised magnetic textures possessing particle-like properties. They are considered promising for various applications but are also intriguing from a fundamental point of ... -
(University of Iceland, School of Engineering and Natural Sciences, Faculty of Physical Sciences, 2017-06)Electron paramagnetic resonance (EPR) spectroscopy is routinely used to study the structure and dynamics of nucleic acids, to obtain information about their functions. A prerequisite for most EPR studies of nucleic acids is the incorporation of ...
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(University of Iceland, School of Engineering and Natural Sciences, Faculty of Physical Sciences, 2020-02-01)Rafeindasegullitrófsgreiningu (e. Electron Paramagnetic Resonance, EPR) er reglubundið beitt í rannsóknum á byggingu og hreyfingu kjarnsýra til að fá upplýsingar um starfsemi þeirra og hlutverk. Innleiðing meðseglandi kjarna á ákveðinn stað í kjarnsýrum ...
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(University of Iceland, School of Engineering and Natural Sciences, Faculty of Physical Sciences, 2020)Nature has been successful in self-assembling simple building blocks to complex functional architectures and the concept of supramolecular chemistry has enabled chemists to mimic nature's self-assembly principles. The understanding of the assembly/reassembly ...
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(Springer Nature, 2017-09-20)Understanding how edge misfit dislocations (MDs) form in a GeSi/Si(001) film has been a long standing issue. The challenge is to find a mechanism accounting for the presence of these dislocations at the interface since they are not mobile and cannot ...
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(University of Iceland, School of Engineering and Natural Sciences, Faculty of Physical Sciences, 2022-06-27)The research described in this thesis is part of a network project involving the growth of metal nanostructures on surfaces of solids, a Horizon 2020 project titled ELENA. The part of the project described here involved the use of various approaches ...
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(University of Iceland, School of Engineering and Natural Sciences, Faculty of Physical Sciences, 2020-12-15)Dynamic nuclear polarization (DNP) has emerged as an important technique to enhance the signal intensity of nuclear magnetic resonance (NMR) spectroscopy by transferring spin polarization from unpaired electrons to nuclei of interest. Persistent organic ...
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(University of Iceland, School of Engineering and Natural Sciences, Faculty of Physical Sciences, 2023-02)Today, society is reliant on nonrenewable fossil fuels and petrochemical derivatives. As the global population increases, energy and materials are rapidly diminishing, and a drastic, responsive change is needed to achieve a more sustainable world. It ...
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(University of Washington, 2007)Harmonic quantum transition state theory (HQTST), sometimes referred to as ’instanton theory’ or ’ImF theory’, has been implemented in an efficient way and tested. HQTST is analogous to the more familiar classical harmonic transition state theory ...
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(2021-04-09)Direct optimization methods for the calculation of ground and excited electronic states are presented for both total density and orbital-density-dependent functionals. The methods have been developed for various types of basis sets including localized ...
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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 ...
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(Wiley, 2020-01-16)(Coumarin-4-yl)methyl (c4m) and p-hydroxyphenacyl (pHP)-based compounds are well known for their highly efficient photoreactions, but often show limited solubility in aqueous media. To circumvent this, we synthesized and characterized the two new c4m ...
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(University of Iceland, School of Engineering and Natural Sciences, 2021-06-25)Determining the atomic structure of nanoclusters is a challenging task and a critical one for understanding their chemical and physical properties. To fully understand the properties of a nanocluster, it is necessary to know the positions of the atoms ...
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(University of Iceland, School of Engineering and Natural Sciences, Faculty of Physical Sciences, 2021-06)Methods for identifying the mechanism and estimating the rate of chemical reactions are presented and evaluated for a wide range of systems, using both classical and quantum mechanical description of the atomic nuclei. In the classical case, the minimum ...
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(Royal Society of Chemistry (RSC), 2022-03-30)Motivated by the use of tetrakis(dimethylamino)silane (TKDMAS) to produce silicon nitride-based deposits and its potential as a precursor for Focused Electron Beam Induced Deposition (FEBID), we have studied its reactivity towards low energy electrons ...
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(Wiley, 2021-03-25)Oxytocin is a cyclic nonapeptide used to induce labor and prevent bleeding after childbirth. Due to its instability, storage and transport of oxytocin formulations can be problematic in hot/tropical climates. The aim of this study was to investigate ...
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(Beilstein Institut, 2017-11-10)We present first experiments on electron beam induced deposition of silacyclohexane (SCH) and dichlorosilacyclohexane (DCSCH) under a focused high-energy electron beam (FEBID). We compare the deposition dynamics observed when growing pillars of high ...
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(Beilstein Institut, 2018-02-14)In the current contribution we present a comprehensive study on the heteronuclear carbonyl complex H2FeRu3(CO)13 covering its low energy electron induced fragmentation in the gas phase through dissociative electron attachment (DEA) and dissociative ...
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(American Chemical Society (ACS), 2021-03-25)Fragmentation of transient negative ions of tryptophan molecules formed through electron transfer in collisions with potassium atoms is presented for the first time in the laboratory collision energy range of 20 up to 100 eV. In the unimolecular ...
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(Beilstein Institut, 2019-09-17)Multilayer structures comprising of SiO2/SiGe/SiO2 and containing SiGe nanoparticles were obtained by depositing SiO2 layers using reactive direct current magnetron sputtering (dcMS), whereas, Si and Ge were co-sputtered using dcMS and high-power impulse ...
Now showing items 1-20 of 44