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Computational study of the dissolution of cellulose into single chains: the role of the solvent and agitation
(Journal article; Peer reviewed, 2022)We investigate the dissolution mechanism of cellulose using molecular dynamics simulations in both water and a mixture solvent consisting of water with Na+, OH− and urea. As a first computational study of its kind, we apply ... -
Conductivity and capacitance of streamers in avalanche model for streamer propagation in dielectric liquids
(Journal article; Peer reviewed, 2019)Propagation of positive streamers in dielectric liquids, modeled by the electron avalanche mechanism, is simulated in a needle–plane gap. The streamer is modeled as an RC-circuit where the channel is a resistor and the ... -
Controlled patterning of metallic nanogaps and nanogap arrays via adhesion lithography
(Doctoral theses at NTNU;2021:181, Doctoral thesis, 2021)Existing nanofabrication methods typically rely on techniques such as optical lithography, electron-beam lithography or focused ion beam milling that enable high fidelity patterning but suffer from various limitations in ... -
Cooperative insertion of CO2 in diamine-appended metal-organic frameworks
(Journal article; Peer reviewed, 2015)The process of carbon capture and sequestration has been proposed as a method of mitigating the build-up of greenhouse gases in the atmosphere. If implemented, the cost of electricity generated by a fossil fuel-burning ... -
Copper and tin incorporated microporous aluminium phosphate AIPO4-5 studied by x-ray absorption spectroscopy : including the Rietveld structure refinement of tin-containing AIPO4-5
(Doktoravhandlinger ved NTNU, 1503-8181, Doctoral thesis, 2000)X-ray absorption spectroscopy (XAS) and x-ray powder diffraction (XRD) have been used to study the metal substituted microporous aluminophoshates CuAPO-5 (Papers 1 and 2) and SnAPO-5 (Paper 3). Also investigated were the ... -
Copper incorporated silica aerogels: effect of synthesis parameters, characterisation and catalytic applications
(Master thesis, 2022)Abstract will be available on 2024-07-01 -
Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models
(Journal article; Peer reviewed, 2017)In this article, we present a black-box approach for the selection of orbital spaces when computing core excitation energies in the multilevel coupled cluster (MLCC) framework. Information available from the lower level ... -
Could fully-syntehtic tetracycline antibiotics be a part of the solution to beat antibiotic resistance?
(Bachelor thesis, 2020) -
Coupled Cluster for High-Spin Open-Shell Systems - A Mixed Orbital Approach
(Master thesis, 2016)The description of high-spin open-shell systems with coupled cluster (CC) theory presents problems not encountered in the closed-shell case. Spin-contamination and additional computational cost compared to closed-shell ... -
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 ...