Browsing Institutt for kjemi by Title
Now showing items 51-70 of 1399
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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 implicit solvent coarse-grained model for alginate hydrogels crosslinked with chitosan oligomers
(Master thesis, 2022)En grovkornet tilnærming er tatt i bruk i dette masterprosjektet for å undersøke hydrogeler i mikroskopisk skala ved bruk av molekylær dynamikksimuleringer. Hydrogelene som er studert er sammensatt av alginater tverrbundet ... -
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 CC2 Model
(Master thesis, 2024)Med inspirasjon fra similarity constrained coupled cluster singles and doubles (SCCSD) modellen utviklet av Kjønstad og Koch blir nødvendige likninger for utviklingen av en similarity constrained coupled cluster modell på ... -
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 ... -
Analyse glycol ether and pesticide metabolites in Norwegian children and their potential determinants
(Master thesis, 2022)Ikke-persistente stoffer er mye brukt i forbruksvarer og i miljøet. De finnes i hverdagsprodukter som plastikk, smøremidler, løsningsmidler, og insektsmidler, og eksponering av disse stoffene i lave konsentrasjoner kan ... -
Analysis of Ammonium and Nitrate with Ion Selective Electrodes (ISE) in Recirculating Aquaculture Systems (RAS) and a Test of Ag - TiO2 Nanotube Composite Material as Antifouling Sensor Protection.
(Master thesis, 2018)Keeping salmon farming in closed recirculating systems, the challenge related to salmon lice, escape and leakage of nutrients will be dramatically reduced. A high content of nitrogen species deriving from nutrients and ... -
Analysis of Microarray Data Using Inductive Logic Programming and Ontological Background Information
(Doktoravhandlinger ved NTNU, 1503-8181; 2010:46, Doctoral thesis, 2010)The use of formal logic in chemometric analysis has been sparse. However, there are some problems which are well suited for analysis with inductive logic programming (ILP), a class of machine learning methods based on ... -
Analysis of petroleum oil droplet behavior during a subsea release
(Master thesis, 2022)Under et undervannsutslipp flyter millioner av oljedråper gjennom vannkolonnen og opp mot havoverflaten. Hvordan dråpene oppfører seg når de når overflaten vil avgjøre både oljefilmtykkelsen, emulgeringen og livsløpet til ... -
Analysis of Pretreatment Methods for Bio-based Plastic Production Based on Enzymatic Hydrolysis and Microbial Fermentation
(Bachelor thesis, 2021)Lignocellulose er et biomateriale som eksisterer i større mengder på planeten vår, og vil kunne bli benyttet som et alternativ til fossilt brennsel til produksjon av for eksempel bioplast. Desverre, så er det krevende og ... -
Analysis of Steroidal Compounds in Environmental Samples by Comprehensive Two-dimensional Gas Chromatography Time-of-flight Mass Spectrometry
(Master thesis, 2015)Steroidal compounds, especially human estrogens, have been shown to have an impact on aquatic ecosystems. Investigations at the Viikinmäki wastewater treatment plant in Helsinki revealed presence of these compounds in ... -
Analysis, occurrence and removal efficiencies of organophosphate flame retardants (OPFRs) in sludge undergoing anaerobic digestion followed by diverse thermal treatments
(Peer reviewed; Journal article, 2023)Organophosphate flame retardants (OPFRs) are a complex group of contaminants to deal with in sewage sludge, as currently there is a lack of robust analytical methods to measure them and management strategies to remove them. ... -
Analytical Model for the Molecular Ionization Energy in an External Electric Field
(Peer reviewed; Journal article, 2024)A model for the molecular ionization energy in an applied electric field is presented on the basis of a perturbation expansion in the electric field. The leading term arises from the Frenkel approach, which is the same for ... -
Analyzing Complex Reaction Mechanisms Using Path Sampling
(Journal article; Peer reviewed, 2016)We introduce an approach to analyze collective variables regarding their predictive power for a reaction. The method is based on already available path sampling data produced by for instance transition interface sampling ... -
Anilines in acid catalyzed amination with 4-chloro-7H-pyrrolo[2,3-d]pyrimidine
(Master thesis, 2023)Pyrrolopyrimidiner har en omfattende farmakologisk profil og er av stor betydning i mange biologisk aktive forbindelser. Syre-katalysert aminering av slike heterosykliske forbindelser er en velkjent strategi innen syntese ... -
Anleggsvirksomhet og påvirkning på bekkesystemer: En undersøkelse av metallavrenning og speciering i områder rundt nye E6 Oslo-Trondheim
(Master thesis, 2013)Seks vassdrag har blitt studert med tanke på å finne ut hvordan og hvor mye vegarbeid påvirker nærliggende bekkesystemer. Det gjelder Orbekken, Brøhaug og Labbelva med anleggsarbeid og Augla, Lauvåa og Skurdalsåa uten ...