Blar i Institutt for kjemi på dokumenttype "Doctoral thesis"
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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 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 ... -
Current chemistry: Experiments and Practice in Electrochemistry Education
(Doktoravhandlinger ved NTNU, 1503-8181; 2010:93, Doctoral thesis, 2010) -
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 ... -
Development and propertiesof nontoxic solid electrodes for environmental surveillance: Application in automatic on site determination of metals in natural water and industrial solutions
(Doktoravhandlinger ved NTNU, 1503-8181; 2009:11, Doctoral thesis, 2009) -
Development of an On-Line Monitoring Platform and Procedure for Rapid Environmental and Process Monitoring of Heavy Oil Extraction Operations and Industrial Activity
(Doctoral theses at NTNU;2020:359, Doctoral thesis, 2020)Developing monitoring systems for micro-pollutants and toxic substances to be able to protect particularly valuable and vulnerable areas against negative environmental pressures and impacts, and be in the forefront concerning ... -
The development of antifouling materials with potential application on sensors
(Doctoral theses at NTNU;2022:77, Doctoral thesis, 2022)Unwanted biofilm is one of major unsolved problems for underwater structures including movable and stationary, such as ships, pipelines, cables, fishing nets, bridge pillars and sensors. Especially for water monitoring ... -
Development of Au(I) Cycloadditions, Trifluoromethylation and Novel Au(I) Complexes
(Doctoral theses at NTNU;2020:167, Doctoral thesis, 2020)The field of gold(I)-catalysed reactions in organic chemistry has been expanding rapidly in the last two decades. Gold catalyses a diverse range of transformations and is especially useful in the activation of triple bonds ... -
Development of methods for de novo design of functional drugs and catalyst compounds
(Doktoravhandlinger ved NTNU, 1503-8181; 2011:165, Doctoral thesis, 2011) -
Development of Thienopyrimidines as Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitors
(Doctoral thesis at NTNU;2015:195, Doctoral thesis, 2015)Abstract: Kinases are very attractive targets in the development of new drugs, due to their many important physiological and pathological functions. In the last few years, there has been a paradigm shift in cancer ... -
Development of tools for evolutionary de novo design of molecules with improved properties
(Doctoral thesis at NTNU;2016:180, Doctoral thesis, 2016)Design and discovery of molecules using computers and particularly de novo based design has been in practice for many years. In such schemes, the algorithm to design the molecules and precise estimates their properties ... -
Diffusion in heterogeneous polymer systems : a nuclear magnetic resonance study
(Dr. ingeniøravhandling, 0809-103X; 2000:112, Doctoral thesis, 2000)Both enantiomers of 1-(1,3-dithian-2-yl)-2-propanol (5) 1-(1,3-dithiolan-2-yl)-2-propanol (6), and halogenated derivatives of 5 was obtained by microbial reductions and lipase catalyzed esterifications. (2S)-1-(1,3-dithi ... -
Effect of surfactant structure on properties of oil/water interfaces: A coarse-grained molecular simulation study.
(Doktoravhandlinger ved NTNU, 1503-8181; 2004:142, Doctoral thesis, 2004)The elastic properties of oil/water/surfactant interfaces play an important role in the phase behaviour of microemulsions and for the stability of macroemulsions. The aim of this thesis is to obtain an understanding of ... -
Efficient algorithms for coupled cluster with approximate triples for larger molecular systems
(Doctoral theses at NTNU;2021:339, Doctoral thesis, 2021)Spectroscopic techniques are widely used to study matter in a non-invasive manner. With increasing complexity of the experiments conducted, theoretical simulations become more important to gain additional insight into the ... -
Electronic Structure, Stability, and Chemical Reactivity of Transition-Metal Catalysts Supported by Graphene Nanomaterials
(Doctoral theses at NTNU;2017:353, Doctoral thesis, 2017)Graphene, a 2D monolayer of graphite, has emerged as a novel material in many areas, such as catalysis and energy storage devices. Because of fascinating properties, such as remarkable surface area, superior electric ... -
Element content and bioaccessibility assessment of different size fractions of airborne particulate matter Ambient exposure (Trondheim, Norway) and occupational exposure (rehabilitation of the Freifjord tunnel, Norway)
(Doctoral theses at NTNU;2019:359, Doctoral thesis, 2019) -
Ellen Gleditsch : professor, radiochemist, and mentor
(Doktoravhandlinger ved NTNU, 1503-8181; 2005:117, Doctoral thesis, 2005) -
Energy Dissipation and Recovery in the Context of Silicon Production: Exergy Analysis and Thermoelectricity
(Doctoral thesis at NTNU;2015:315, Doctoral thesis, 2015)The metallurgical industry is power intensive and produces not only metals but also large amounts of excess heat. To increase the energy efficiency in this industry is thus of major interest, from both an environmental ...