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Coupled cluster investigations of spectroscopic properties in molecular and crystalline systems
(Doctoral theses at NTNU;2022:343, Doctoral thesis, 2022)Theoretical studies of spectroscopic properties are of great value, both by themselves and in combination with experiments. The highly accurate coupled cluster methods are attractive options for such studies. Due to their ... -
Coupled cluster methods for nonadiabatic molecular dynamics
(Doctoral theses at NTNU;2020:241, Doctoral thesis, 2020)Reliably predicting nuclear dynamics in excited electronic states requires an accurate representation of the involved electronic states. One challenge in this respect is the correct description of electronic degeneracies, ... -
Coupled cluster theory and strong light-matter coupling
(Doctoral theses at NTNU;2023:354, Doctoral thesis, 2023)Chemical properties and reactivity are influenced by many external factors, such as temperature, pressure, solvents, and electric fields. In spectroscopy, molecules are probed using light, which yields information about ... -
Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States
(Peer reviewed; Journal article, 2020)We present an ab initio correlated approach to study molecules that interact strongly with quantum fields in an optical cavity. Quantum electrodynamics coupled cluster theory provides a nonperturbative description of ... -
Coupled Transport of Heat, Mass and Charge in Ion Exchange Membranes - Aqueous Chloride Systems Relevant for Harvesting of Low-Grade Waste Heat
(Master thesis, 2018)In this thesis, the theory of classical non-equilibrium thermodynamics is used as a tool for the analysis of transport processes in ion exchange membranes, and for designing experiments for the determination of coupling ... -
Coupled transports of heat and mass at the surface of and inside silicalite
(Doktoravhandlinger ved NTNU, 1503-8181; 2008:266, Doctoral thesis, 2008) The objective of this thesis was to gain a better understanding about the transport of gas and heat across a membrane and to shed light on the coupling effects between heat and mass transfer. As a model ... -
COx-free hydrogen production from ammonia – mimicking the activity of Ru catalysts with unsupported Co-Re alloys
(Peer reviewed; Journal article, 2020)On-demand production of hydrogen from ammonia is a challenge limiting the implementation of ammonia as a long term hydrogen vector to overcome the difficulties associated with hydrogen storage. Herein, we present the ... -
Crossing conditions in coupled cluster theory
(Journal article; Peer reviewed, 2017)We derive the crossing conditions at conical intersections between electronic states in coupled cluster theory and show that if the coupled cluster Jacobian matrix is nondefective, two (three) independent conditions are ... -
Crosslinking of Polyesters in Emulsion Droplets
(Master thesis, 2020)Fremskritt innen alkydemulsjoner er nødvendig for å forbedre svakheter som lange tørketider og myke filmer assosiert med alkydmaling. Å øke molekylvekten kan redusere herdetiden og forbedre hardheten til filmene. En ... -
Cryoconite Holes as Potential Tools for Environmental Monitoring in the Arctic. A Study of the Accumulation of Atmospherically Deposited Inorganic and Organic Pollutants in Cryoconite Holes from Three Glaciers in Ny-Ålesund.
(Master thesis, 2022)A study of hazardous trace element accumulation in cryoconite from three glaciers in Ny-Ålesund; Austre Brøggerbreen, Vestre Brøggerbreen, and Midtre Lovénbreen, found elevated concentrations of As, Cd, and Pb compared to ... -
Current chemistry: Experiments and Practice in Electrochemistry Education
(Doktoravhandlinger ved NTNU, 1503-8181; 2010:93, Doctoral thesis, 2010) -
Datadrevet Prediksjon av Båndgap for Multielement Krystallinske Materialer
(Master thesis, 2019)Denne oppgaven undersøker bruken av datadrevet modellering for estimering av båndgap i multielement krystallinske materialer. Modellene ble utviklet gjennom bruk av lineære og ikke-lineære maskinlæringsalgoritmer på et ... -
De Første Stegene mot en Perturbasjonsteori for Små Systemer
(Master thesis, 2020)Tilstandsligninger (EOS) utviklet gjennom perturbasjonsteori er kjent i litteraturen og kan være et nyttig verktøy for å modellere væskeoppførsel. Selv om populære perturbasjonsteorier av f.eks. Barker-Henderson (BH) ... -
Deciphering the composition and transformation of dissolved organic matter in recirculating aquaculture systems by high-resolution mass spectrometry
(Doctoral theses at NTNU;2022:237, Doctoral thesis, 2022)The continuous increase in the human population is prompting the need for aquaculture systems able to sustain the global demand for fish without affecting the environment. Recirculating aquaculture systems (RAS) are a new ... -
Deciphering the Composition of Fulvic Acids from Recirculating Aquaculture Systems by Quadrupole Time-of-Flight Mass Spectrometry
(Peer reviewed; Journal article, 2022)The constant reuse of waters in recirculating aquaculture systems (RAS) together with the continuous addition of organic matter from fish degradation components, faeces and non-consumed feed promote the accumulation of ... -
The decomposition and emission factors of a wide range of PFAS in diverse, contaminated organic waste fractions undergoing dry pyrolysis
(Peer reviewed; Journal article, 2023)Current treatment options for organic waste contaminated with per- and polyfluoroalkyl substances (PFAS) are generally limited to incineration, composting or landfilling, all resulting in emissions. Dry pyrolysis is a ... -
Defining the pressures of a fluid in a nanoporous, heterogeneous medium
(Journal article, 2022)We describe the thermodynamic state of a single-phase fluid confined to a porous medium with Hill's thermodynamics of small systems, also known as nanothermodynamics. This way of defining small system thermodynamics, with ... -
Degradation of Amines
(Master thesis, 2013)In view of the rising amounts of greenhouse gases in the atmosphere, preventing CO2 emissions has become increasingly important. The combustion of fossil fuels for energy production and transportation is a large contributor ... -
Degradative behavior and toxicity of alkylated imidazoles
(Journal article; Peer reviewed, 2020)The thermal and oxidative degradation behavior and the corrosiveness of imidazole (Im), 2-methylimidazole (2MIm), 2-ethyl-4-methylimidazole (2E4MIm), 2,4,5-trimethylimidazole (2,4,5MIm), and 1,2,4,5-tetramethylimidazole ... -
Dementia in the National Cause of Death Registry in Norway 1969-2010
(Journal article; Peer reviewed, 2012)Background: The prevalence of dementia is expected to increase markedly during the coming decades. Epidemiological studies involving the National Cause of Death Registry (NCDR) may be useful for exploring the aetiology of ...