Blar i Institutt for kjemi på emneord "VDP::Mathematics and natural science: 400::Chemistry: 440"
Viser treff 21-40 av 43
-
“Fluid transport through nanoporous media in the presence of phase transitions
(Doctoral theses at NTNU;2022:268, Doctoral thesis, 2022)Clean potable water is among the most precious commodities in the world. Even though water is not sparse on the planet’s surface, it is not sufficiently accessible for about 4 billion people, who are experiencing serious ... -
Gold Complex Preparation, Catalysis and Catalyst Activation
(Doctoral theses at NTNU;2022:195, Doctoral thesis, 2022)Gold complexes and salts have proven to be exceptional catalysts for the activation of carbon-carbon multiple bonds towards nucleophilic attack. Gold catalysts allow for the synthesis of complex products under mild conditions. ... -
Gold(III) Complexes: Ligand Design and Catalytic Properties
(Doctoral theses at NTNU;2020:264, Doctoral thesis, 2020)Gold catalysis has become one of the fastest growing fields in organic chemistry, providing new transformations and offering excellent chemoselectivities at mild reaction conditions. So far, the main focus within Au(III) ... -
Hydrogen dissociation under equilibrium and non-equilibrium conditions A study using molecular dynamics
(Doctoral thesis at NTNU;2014:323, Doctoral thesis, 2014)The aim of this thesis project was to model reactions using classical molecular dynamics simulations under both equilibrium and non-equilibrium conditions and to study the effect of the reaction on the transport properties ... -
In situ X-ray absorption spectroscopic studies of unsupported and supported CoRe during ammonia synthesis/ammonia decomposition
(Doctoral theses at NTNU;2021:407, Doctoral thesis, 2021)In situ X-ray absorption spectroscopy (XAS) studies are crucial for studying the local environment, oxidation state and speciation of transition metals during thermal pre-treatments and during working conditions of catalysts. ... -
Investigation of Pyrrolo- and Furopyrimidines as Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitors: Synthesis and Activity-ADME Profile
(Doctoral theses at NTNU;2016:351, Doctoral thesis, 2016)Summary of thesis: Due to their essential roles in signal transduction and regulation of cellular processes, kinases have been established as promising drug targets for the treatment of various human diseases. Since ... -
IRON AS A DRIVING FORCE OF LIFE: INVESTIGATING EFFECTS OF IRON SOURCE ON PHYSIOLOGICAL FACTORS AND BIOTIC IRON RELATIONSHIPS IN SYNECHOCOCCUS SP. PCC 7002
(Doctoral theses at NTNU;2021:347, Doctoral thesis, 2021)Iron is one of the most abundant elements in the Earth’s crust, and yet it is a limiting factor for primary production in large parts of the world’s oceans. This is due to the low solubility of iron throughout the water ... -
L-Tartaric Acid Derived Surfactants and N-Isopropylacrylamide Based Core-Shell Nanogels: Synthesis, Mechanistic Studies and Characterization
(Doctoral theses at NTNU;2016:344, Doctoral thesis, 2016) -
Mechanistic Study of Chemical Reactions Using Path Sampling
(Doctoral theses at NTNU;2016:363, Doctoral thesis, 2016)Molecular simulations are the ideal tool to obtain detailed information at the molecular scale which is often invisible to experiments. However, we are still far from a situation in which industries and pharmaceutical ... -
Molecular modeling of ionization processes relevant for electrically insulating liquids
(Doctoral thesis at NTNU;2015:141, Doctoral thesis, 2015)Insulating liquids are often used as a dielectric barrier between two electrodes in high-voltage devices and may suffer a breakdown in high electric fields. Breakdown happens when a conductive plasma channel, a streamer, ... -
Multi-method atomistic modelling of sodium-carbon interactions: Atomistic modelling towards the increased durability of carbon cathodes in primary aluminium production
(Doctoral theses at NTNU;2017:9, Doctoral thesis, 2017)Karbonmaterialer brukes som kledning under produksjonen av primærmetall. Høy temperatur, strøm og et kjemisk tærende miljø sliter materialene under drift. En bidragende årsak til slitasjen er inntrengning av natrium. ... -
Multilevel coupled cluster methods for large molecular systems
(Doctoral theses at NTNU;2020:240, Doctoral thesis, 2020)The coupled cluster hierarchy of models can be used to accurately describe electronic excitations in molecular systems. However, the standard coupled cluster models are expensive and their cost severely limits the size of ... -
Multilevel coupled cluster theory: Development, implementation and application of multilevel coupled cluster theory for core and valence excited states
(Doctoral thesis at NTNU;2016:267, Doctoral thesis, 2016)This thesis consist of seven papers and an introduction describing the ongoing development and applications of multilevel coupled cluster theory. Coupled cluster theory is one of the most accurate, but also one of the ... -
Nanothermodynamics and Molecular Simulations of Fluids in Porous Media
(Doctoral theses at NTNU;2022:144, Doctoral thesis, 2022)The thermodynamic and transport properties of fluids confined to porous media are in this thesis investigated with nanothermodynamics, non-equilibrium thermodynamics, and molecular simulations. Non-equilibrium thermodynamics ... -
Real-time coupled-cluster approaches for electronic multiphoton processes in atoms and molecules
(Doctoral theses at NTNU;2023:227, Doctoral thesis, 2023)This thesis explores time-dependent coupled cluster (TDCC) and time-dependent equation-of-motion coupled cluster (TD-EOM-CC) methods in quantum chemistry. As part of the thesis work, these methods were integrated into the ... -
Salinity acclimation strategies for nitrifying bioreactors in recirculating aquaculture systems
(Doctoral theses at NTNU;2021:33, Doctoral thesis, 2021)The demand for seafood is rising like never before, and unsustainable fishing has depleted the oceans. Recirculating aquaculture systems (RAS) can present a sustainable solution by producing seafood in land-based systems ... -
Simulating electron-avalanche-driven positive streamers in dielectric liquids
(Doctoral theses at NTNU;2020:289, Doctoral thesis, 2020)Summary of thesis: The thesis presents a novel predictive model for simulating positive streamers in dielectric liquids. Such liquids are commonly used for electrical insulation of high-power equipment, for example power ... -
Synthesis and Antimicrobial Evaluation of Small Molecule Amphiphiles Derived from Amphiphilic Antimicrobial Natural Products
(Doctoral theses at NTNU;2017:239, Doctoral thesis, 2017)Development of antimicrobial agents that work through novel mechanisms is of importance for combating the steadily increasing proliferation of resistant bacteria. Infections caused by resistant bacteria have become an ... -
Synthesis of 3'-O-esterified sulfoquinovosyl glycerol derivatives
(Doctoral theses at NTNU;2022:282, Doctoral thesis, 2022)Lipid secondary metabolites are increasingly receiving the attention of researchers for their nutritional and pharmaceutical properties. In a previous study on secondary metabolites of Sclerochloa dura, a plant used in ... -
Synthetic Efforts to Investigate Structure-Property Relationships in Dyes for Dye- Sensitized Solar Cells
(Doctoral theses at NTNU;2022:300, Doctoral thesis, 2022)With the backdrop of human-induced global warming in mind, the need for sustainable energy has never been larger. The Intergovernmental Panel on Climate Change presented in their recent assessment report that global warming ...