Browsing Kjemisk institutt by Title
Now showing items 5-24 of 828
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)The naturally occurring peptide indolicidin from bovine neutrophils exhibits strong biological activity against a broad spectrum of microorganisms. This is believed to arise from selective interactions with the negatively ...
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(Journal article / Tidsskriftartikkel / SubmittedVersion, 2019)Phosphoramides are an interesting alternative to the thiourea motif that has long been used in organocatalysis. In the R1N(H)-P(O)(R3)-N(H)R2 formulation, phosphoramides give the advantage of having a third variable ...
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(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2018)
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)The catalytic mechanism of the cyclic amidohydrolase isatin hydrolase depends on a catalytically active manganese in the substrate-binding pocket. The Mn2+ ion is bound by a motif also present in other metal dependent ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)A highly asymmetric AuIII η3‐allyl complex has been generated by treating Au(η1‐allyl)Br(tpy) (tpy=2‐(p‐tolyl)pyridine) with AgNTf2. The resulting η3‐allyl complex has been characterized by NMR spectroscopy and X‐ray ...
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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, 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 / 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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(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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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 / 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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(Master thesis / Masteroppgave, 2020)
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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 / 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, 2016)In the present contribution, we assess the efficiency of the alkali metals (Na, K, Rb and Cs) as A-site acceptor dopants in proton conducting BaZrO3 by first principles calculations. The calculated acceptor–proton complexes ...
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(Master thesis / Masteroppgave, 2016)The combination of solar energy and water splitting hydrogen production results in a feasible, prospective energy conversion and storage process—photoelectrochemical (PEC) water splitting. In this work, an all-solid-state ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)Vacancy-mediated migration of Al in single-crystal zinc oxide (ZnO) is investigated using secondary-ion mass spectrometry (SIMS) combined with hybrid density-functional theory (DFT) calculations. A thin film of Al-doped ...