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(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2023)The coupled cluster method is considered a gold standard in quantum chemistry, reliably giving energies that are exact within chemical accuracy (1.6 mhartree). However, even in the coupled cluster single-double (CCSD) ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)Metal additive manufacturing has in recent years gained an increasing amount of attention, especially the subgroup of laser powder-bed fusion and aluminium alloys. However, established alloys are designed for casting and ...
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Accelerating Kohn‐Sham response theory using density fitting and the auxiliary‐density‐matrix method (Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)An extension of the formulation of the atomic‐orbital‐based response theory of Larsen et al., JCP 113, 8909 (2000) is presented. This new framework has been implemented in LSDalton and allows for the use of Kohn‐Sham ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)We report a physicochemical investigation of the lipid transport properties of model lipid membranes in the presence of the antimicrobial peptide indolicidin through comparisons of experimental SANS/SAXS scattering techniques ...
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(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)Corrosion in carbon steel pipelines is a major threat for safe CO2 transport, and there have been several projects studying the corrosivity of impurities which could be found in captured CO2. Often only two or three of ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)Abstract Herein, we report two new COOH‐functionalized metal‐organic frameworks (MOFs) of composition [M 6 O 4 (OH) 6 (PMA) 2 (H 2 PMA)]×H 2 O, M=Zr, Hf), denoted CAU‐61, synthesized by using pyromellitic acid (H 4 PMA), ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2021)Methylation of aromatic compounds is a key reaction step in various industrial processes such as the aromatic cycle of methanol-to-hydrocarbons chemistry. The study of isolated methylation reactions and of the influence ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)It is of considerable interest to identify chemicals which may represent a hazard and risk to environmental and human health in remote areas. The OECD POV and LRTP Screening Tool (“The Tool”) for assessing chemicals for ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)Real-time simulations of laser-driven electron dynamics contain information about molecular optical properties through all orders in response theory. These properties can be extracted by assuming convergence of the power ...
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(Master thesis / Masteroppgave, 2020)
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2021)Li-ion capacitors (LICs) are designed to achieve high power and energy densities using a carbon-based material as a positive electrode coupled with a negative electrode often adopted from Li-ion batteries. However, such ...
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Advanced Modelling of NiMH Batteries: Integrating Renewable Energy Sources into EV Charging Stations (Master thesis / Masteroppgave, 2019)This thesis is devoted to the topic of energy storage system modelling, and to the integration of such systems to increase the utilisation of renewable energy. In particular, the use of a nickel-metal hydride battery storage ...
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(Doctoral thesis / Doktoravhandling, 2023)Laws of physics govern the motion of molecules that constitute all materials, living and non-living, in a highly hierarchical organisation, across tremendous scales of size and time. Molecular dynamics provides a direct ...
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(Doctoral thesis / Doktoravhandling, 2020)This dissertation aims at advancing the capability of hybrid particle-field simulations of representing various physical phenomena relevant to biological systems. While hybrid particle-field simulations are computationally ...
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(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2021)Lipid A is one of the three components of bacterial lipopolysaccharides constituting the outer membrane of Gram-negative bacteria, and is recognized to have an important biological role in the inflammatory response of ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)Fires in waste facilities are a common occurrence. Since many waste facilities are located adjacent to densely populated areas, these fires could potentially expose large populations to the emitted pollutants. However, at ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)Herein we report on the first successful airborne deployment of the CHemical Analysis of AeRosol ONline (CHARON) particle inlet which allowed us to measure the chemical composition of atmospheric submicrometer particles ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)Wildfires emit significant amounts of pollutants that degrade air quality. Plumes from three wildfires in the western U.S. were measured from aircraft during the Studies of Emissions and Atmospheric Composition, Clouds and ...
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(Doctoral thesis / Doktoravhandling, 2011)During the last decade, there has been an increased concern of impact to human health from exposure to lubricants and organophosphates (OPs) for workers in the aviation industry. In spite of this concern, neither methods ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)Aluminium zinc oxide (AZO) is a promising transparent conductive oxide this is difficult to fabricate by metal-organic chemical vapour deposition (MOCVD) because of prereactions between the precursors for Al and oxygen. ...