Browsing Kjemisk institutt by Title
Now showing items 22-41 of 1521
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)Proton-transfer-reaction mass spectrometry (PTR-MS) is seeing an increased use of NH4+ ions for the detection of amines and labile oxygenated organic compounds. NH4+ ions are usually generated from ammonia or ammonium-containing ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)Molecular structure, a key concept of chemistry, has remained elusive from the perspective of all-particle quantum mechanics despite many efforts. Viewing molecular structure as a manifestation of strong statistical ...
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(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)Interactions of a stationary external magnetic field with the spin and orbital magnetic momenta of a molecule are included in the quantum mechanical model where the Born–Oppenheimer approximation is not assumed. The model ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)Many laboratory courses consist of short and seemingly unconnected individual laboratory exercises. To increase the course consistency, relevance, and student engagement, we have developed a research‐inspired and project‐based ...
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(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2020)A state-specific multireference coupled-cluster (MRCC) method based on Arponen’s bivariational principle is presented, the bivar-MRCC method. The method is based on single-reference theory and therefore has a relatively ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2022)We analyse how carbon emissions are reduced utilizing the new NordLink cable between Norway and Germany, taking policy plans of platform electrification in Norway into account. Building a stochastic model based on existing ...
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(Master thesis / Masteroppgave, 2022)
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)Reactions between alkenes and methanol or dimethyl ether (DME) on zeolite catalysts are involved in industrial processes that are highly relevant for the transition to renewable carbon sources, such as the Methanol-To-Hydrocarbons ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)Herein, we report the discovery of a toroidal inorganic cluster of zirconium(IV) oxysulfate of unprecedented size with the formula Zr70(SO4)58(O/OH)146⋅x(H2O) (Zr70), which displays different packing of ring units and thus ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)α-helical coiled-coils are ubiquitous protein structures in all living organisms. For decades, modified coiled-coils sequences have been used in biotechnology, vaccine development, and biochemical research to induce protein ...
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(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)Transition metal containing polyanion compounds are effective excellent electrode materials for sodium-ion batteries due to their high intrinsic electrochemical potentials and to the resulting high energy density. Iron ...
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Ab initio calculation of the coefficient of thermal expansion and the secondary pyroelectric vector (Master thesis / Masteroppgave, 2020)
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(Doctoral thesis / Doktoravhandling, 2021)Hydrogen will play a key role in a zero-emission society, and proton (H+) conducting oxides have gained interest as solid-state electrolytes for next-generation electrochemical devices for fuel cells and electrolyzers. ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2021)The dynamics of a molecule in a magnetic field is significantly different from its zero-field counterpart. One important difference in the presence of a field is the Lorentz force acting on the nuclei, which can be decomposed ...
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(Master thesis / Masteroppgave, 2022)In this work we have set out to examine the band gaps of potential high-entropy stabilized transition metal silicides, based on the FeSi2 semiconductor. Here, we have performed a first principles study utilizing density ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)Vapor–liquid equilibria data of three poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide)/water liquid crystals (LCs) with CO2 has been obtained up to 6 bar. The investigated LCs consist of 60% (EO)3(PO)50(EO)3 ...
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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 ...