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A theoretical and experimental benchmark study of core-excited states in nitrogen
(Journal article; Peer reviewed, 2018)The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different ... -
A thermodynamic study of the hydrogen dissociation by the Small System Method and the reactive force field ReaxFF
(Master thesis, 2016)The aim of this thesis was to study the reaction 2H=H2 using the reactive interaction potential ReaxFF. This was done by performing a thermodynamic study, using the ReaxFF and the Small System Method (SSM). The results ... -
Accelerated hydrolysis method for producing partially degraded polyester microplastic fiber reference materials
(Peer reviewed; Journal article, 2020)Microplastic fibers (MPFs) from textiles significantly contribute to the microplastic (MP) load in many environmental matrices and have been shown to negatively impact the organisms therein. Most fate and effect studies ... -
Acetonitrile as a Building Block and Reactant
(Journal article; Peer reviewed, 2018)Acetonitrile is popular as a solvent for performing organic reactions, as a ligand in inorganic chemistry, as a mobile phase in chromatography, and as an electrolyte solvent in dye-sensitized solar cells. This is mainly ... -
Activity of 6-aryl-pyrrolo[2,3-d]pyrimidine-4-amines to Tetrahymena
(Journal article; Peer reviewed, 2012) -
Adam Lonicer's Kreuterbuch and 16th century distillation: An experimental approach to the study of Adam Lonicer and some of the technology applied by him and his contemporaries in the production of medicines
(Master thesis, 2014)The Kreuterbuch published by Adam Lonicer (1528--1586) in 1569 experienced immense popularity in the 16th century. The book is a lavishly illustrated herbal, in which distillation is a central theme. It has formed the basis ... -
Adsorption of an Ideal Gas on a Small Spherical Adsorbent
(Peer reviewed; Journal article, 2021)The ideal gas model is an important and useful model in classical thermodynamics. This remains so for small systems. Molecules in a gas can be adsorbed on the surface of a sphere. Both the free gas molecules and the adsorbed ... -
Advanced data mining approaches in the assessment of urinary concentrations of bisphenols, chlorophenols, parabens and benzophenones in Brazilian children and their association to DNA damage
(Journal article; Peer reviewed, 2018)Human exposure to endocrine disrupting chemicals (EDCs) has received considerable attention over the last three decades. However, little is known about the influence of co-exposure to multiple EDCs on effect-biomarkers ... -
Aerogels; a new class of materials for catalytic purposes
(Doktoravhandlinger ved NTNU, 1503-8181; 2013:212, Doctoral thesis, 2013)Silica aerogels containing copper(II) cations were prepared by adding the metal precursor during the sol-gel stage. The gel surfaces were made hydrophobic by applying the ambient-pressure-drying (APD) method, and various ... -
Alchemical Non-Equilibrium Free Energy Calculations Of CSF-1R Inhibitors
(Master thesis, 2022)Abstract will be available on 2025-02-01 -
Aminoalkyl-functionalized pyridines as high cyclic capacity CO2 absorbents
(Journal article; Peer reviewed, 2019)Recent years have witnessed a growing academic interest in development of new CO2 capture solvents to reduce the capture costs. This study focused on nine picolylamines (three commercial and six synthesized) and one ... -
Aminolysis of an Isophthalic Acid Derivative - Storage Stability and By-Product Formation
(Master thesis, 2020) -
An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets
(Journal article; Peer reviewed, 2019)An extensive analysis has been carried out of the performance of standard families of basis sets with the hierarchy of coupled cluster methods CC2, CCSD, CC3, and CCSDT in computing selected Oxygen, Carbon, and Nitrogen ... -
An efficient algorithm for Cholesky decomposition of electron repulsion integrals
(Journal article; Peer reviewed, 2019)Approximating the electron repulsion integrals using inner projections is a well-established approach to reduce the computational demands of electronic structure calculations. Here, we present a two-step Cholesky decomposition ... -
An In Situ XAS Study of the Cobalt Rhenium Catalyst for Ammonia Synthesis
(Journal article; Peer reviewed, 2018)A cobalt rhenium catalyst active for ammonia synthesis at 400 °C and ambient pressure was studied using in situ XAS to elucidate the reducibility and local environment of the two metals during reaction conditions. The ... -
An In-situ FTIR Study of the Methanol to Hydrocarbons Reaction Over Zeolite Catalysts
(Master thesis, 2011)This thesis investigates several different types of zeolites during the conversion of methanol to hydrocarbons, and examines the effects of the differences between them. All samples were characterized by SEM, XRD, ICP-MS ... -
An Orbital Invariant Similarity Constrained Coupled Cluster Model
(Journal article; Peer reviewed, 2019)We present a similarity constrained coupled cluster method able to describe conical intersections between two excited electronic states of the same symmetry. For a given pair of states, this singles and doubles method ... -
Analyse av Røynevannet som mulig reservedrikkevannskilde for Grimstad kommune
(Master thesis, 2018)I denne masteroppgaven er Røynevannet undersøkt, med hensyn på den kjemiske kvaliteten. Hensikten er å undersøke om vannet kan benyttes om reservedrikkevannskilde for Grimstad kommune. Røynevannet er prøvetatt på ulike ...