Browsing Kjemisk institutt by Title
Now showing items 3-22 of 628
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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, 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 ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)A PTR-QiTOF instrument was deployed in the field in the vicinity of the CO2 Technology Center Mongstad (TCM) for measuring amines in ambient air. The observed single-to-double-digit pptv levels of dimethylamine (DMA) and ...
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(Master thesis / Masteroppgave, 2006)Kvikksølv har en rekke ugunstige effekter på menneskelig helse. Dette har de siste tiårene ført til at det har blitt gjennomført reduksjoner i kvikksølvutslipp. Det meste av mobilt kvikksølv i dag er gjort mobilt av ...
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(Master thesis / Masteroppgave, 2006)Hensikten med denne oppgaven var å bestemme kvikksølv i jord i et nedbørfelt. Kvikksølv er en langtransportert luftforurensing som slippes ut fra antropogene så vel som naturlige kilder. Kvikksølv på elementær form blir ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)The mathematical foundation of the so-called extended coupled-cluster method for the solution of the many-fermion Schrödinger equation is here developed. We prove an existence and uniqueness result, both in the full ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2014)We present the first analytic implementation of cubic and quartic force constants at the level of Kohn–Sham density-functional theory. The implementation is based on an open-ended formalism for the evaluation of energy ...
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(Doctoral thesis / Doktoravhandling, 2005)The study of humic substances faces great analytical challenges due both to the substantial temporal and spatial variations found in nature, and the complexity of humic matter itself. The most significant features of humic ...
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(Master thesis / Masteroppgave, 2008)The aggregation and disaggregation caused by temperature and shear rate in aqueous solutions of the thermoresponsive methoxy-poly(ethylene glycol)-block-poly(N-isopropylacrylamide) (MPEG53-b-PNIPAAM113) copolymer was studied ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)Chemical weathering is a fundamental geochemical process regulating the atmosphere-land-ocean fluxes and earth’s climate. It is under natural conditions driven primarily by weak carbonic acid that originates from atmosphere ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)With the aim of making specific targeting of silver nanoparticles as a drug for tumor cells and developing new anticancer agents, a novel nano-composite was developed. Albumin coated silver nanoparticles (ASNPs) were ...
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(Master thesis / Masteroppgave, 2008)The stolen Scream painting of Edvard Munch was restored and in the restoration work of the damages on the painting, a glue of the materials which have to be somewhat identical to the glue that Munch used in the Scream ...
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(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)[trans-Cu(μ-OH)(μ-dmpz)]6 (1) exhibits six Cu(II) centers effectively coupled through a ligand mediated mechanism leading to a diamagnetic ground state over a wide temperature range. Here we investigate further magneto-structural ...
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Assessing the photoelectrochemical properties of C, N, F codoped TiO2 nanotubes of different lengths (Journal article / Tidsskriftartikkel / SubmittedVersion, 2017)The aim of this work has been the photoelectrochemical (PEC) study of nanostructured photoanodes based on TiO2. Highly ordered and well adhered TiO2 nanotubes (TNTs) of different lengths (∼2–20 μm) were prepared in a ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)The implementation of targeted and nontargeted chemical screening analysis in combination with in vitro and organism-level bioassays is a prerequisite for a more holistic monitoring of water quality in the future. For ...
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(Master thesis / Masteroppgave, 2017)The purpose of this work is to systematically assess the consequences of a potential radiological attack on processed food in a production facility. Infant milk formula (IMF) is specifically chosen as the case of investigation. ...