Browsing Kjemisk institutt by Title
Now showing items 70-89 of 1535
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2022)We aim to reduce uncertainties in CH2O and other volatile organic carbon (VOC) emissions through assimilation of remote sensing data. We first update a three-dimensional (3D) chemical transport model, GEOS-Chem with the ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)Abstract. The absence of up-to-date emissions has been a major impediment to accurately simulating aspects of atmospheric chemistry and to precisely quantifying the impact of changes in emissions on air pollution. Hence, ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2022)Emissions and secondary photochemical products from the Daesan petrochemical complex (DPCC), on the west coast of South Korea, were measured from the NASA DC-8 research aircraft during the Korea-United States Air Quality ...
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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, 2019)n quantum chemistry, one of the most important challenges is the static correlation problem when solving the electronic Schrödinger equation for molecules in the Born--Oppenheimer approximation. In this article, we analyze ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)Microcystins (MCs) and nodularins (NODs) exhibit high structural variability, including modifications of the Adda (3S-amino-9S-methoxy-2S,6,8S-trimethyl-10-phenyldeca-4E,6E-dienoic acid) moiety. Variations include ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2022)The diagonal nonadiabatic term arising from the Born–Oppenheimer wave function ansatz contains contributions from a vector and scalar potential. The former is provably zero when the wave function can be taken to be real ...
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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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(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)The partial vibrational density of states (pVDOS) of ice Ih, as simulated by first principle modeling based on density functional theory (DFT), is utilized for computing the Cartesian components of the proton and oxygen ...
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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, 2023)Abstract We showcase here a dramatic failure of CCSD(T) theory that originates from the pronounced multi‐reference character of a key intermediate formed in the benzaldehyde amidation by N‐atom transfer from Pd(II) and ...
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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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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2022)The rapid electrification of our society and the transition towards a larger share of intermittent renewable energy sources in our electricity grids will dramatically increase the demand for cheap energy storage. Sodium ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)We set up an in silico experiment and designed a chimeric compound integrating molecular features from different efficient ROS (Reactive Oxygen Species) scavengers, with the purpose of investigating potential relationships ...
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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)Molecules and Computer: Chemistry Calculations in Class (MC4) is a computational laboratory intended for final-year high school or undergraduate students. The topic is the antioxidant potential of anthocyanidins, which is ...
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(Master thesis / Masteroppgave, 2023)The field of chemistry is increasingly applying machine learning methods to aid in the exploration and understanding of the chemical space. This thesis explores a set of supervised machine learning (ML) methods consisting ...