Blar i Institutt for kjemi på emneord "VDP::Mathematics and natural science: 400::Chemistry: 440"
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Accelerating the understanding of chemistry: with path-sampling and human understandable machine learning algorithms
(Doctoral theses at NTNU;2022:289, Doctoral thesis, 2022)Understanding chemistry is essential for the optimization of reactions and the development of new reactions. Chemical reactions can be investigated by simulations without wasting any precious materials or be influenced by ... -
Application of spectrometric and hyperspectral imaging techniques to the study of cultural heritage materials
(Doctoral thesis at NTNU;2016:241, Doctoral thesis, 2016)Works of art are often heterogeneous structures made up of different inorganic or organic materials, which may be of either natural or artificial origin. As a rule, they are not inert structures but frequently undergo ... -
Asynchronous and Infinite Replica Exchange Transition Interface Sampling
(Doctoral theses at NTNU;2024:215, Doctoral thesis, 2024)A possible alternative to running chemical experiments in the laboratory could be to conduct them digitally instead, by running computer simulations. One prominent simulation technique is Molecular Dynamics (MD), which ... -
Biogeochemistry of iron in Patagonian fjords and waters of the Antarctic Peninsula
(Doctoral theses at NTNU;2017:191, Doctoral thesis, 2017)Iron constitute an essential nutrient for marine life. Several metabolic processes in marine phytoplankton, are dependent on the presence of this trace element. Due to the chemistry of seawater, in certain marine ... -
Comparison of Hygrometers for Monitoring of Water Vapour in Natural Gas
(Doctoral theses at NTNU;2015:21, Doctoral thesis, 2015)To be able to maintain a safe, regular and economic production and transportation of natural gas, it is crucial to be able to accurately quantify the water vapour concentration in the gas. Underestimation of the water ... -
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 ... -
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, ... -
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 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 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 ... -
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 ... -
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) -
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 ... -
Enhancing the quality of chemistry education in Ethiopia: A study of the use and impact of small-scale chemistry experimentation
(Doctoral thesis at NTNU;2015:243, Doctoral thesis, 2015)Despite the policy recommendations for active and practical oriented teaching, the current situation in Ethiopian science classrooms can be described as teacher-centred, where teaching styles such as practical work are ... -
Equilibrium and Nonequilibrium Thermodynamics of Planar and Curved Interfaces
(Doctoral thesis at NTNU;2015:301, Doctoral thesis, 2015)Interfaces can be found everywhere and their properties are of major importance to a wide variety of processes, ranging from DNA replication to weather forecasts. This work is a fundamental study of systems with planar ... -
Ethiopian Christian Paintings from a Physico-chemical Perspective: The Wall Paintings of Yemrehanna Krestos, Petros Paulos and Abune Yemata Guh Churches
(Doctoral theses at NTNU;2016:119, Doctoral thesis, 2016)Summary of thesis: During the past decades there has been an increasing application of scientific analytical methods in the area of conservation of cultural heritage objects and to address art historical and archaeometric ... -
Evaluating characterization methods for new porous functional materials
(Doctoral theses at NTNU;2021:312, Doctoral thesis, 2021)This thesis is concerned with the development and evaluation of characterization methods for new porous functional materials. Functionalized one-dimensional silicoaluminophosphates (SAPOs) were chosen as model systems for ...