Search for dissertations about: "michael"

Showing result 1 - 5 of 1077 swedish dissertations containing the word michael.

2. 1. Structure, dynamics and reactivity of low-oxidation state iron complexes in solution studied by ab initio molecular dynamics simulations and advanced quantum chemistry calculations

   Author : Michael R. Coates; Michael Odelius; Bo Durbeej; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; kemisk fysik; Chemical Physics;

   Abstract : Third row (3d) metals, such as iron have become a candidate for a broad class of photocatalysts that have a large abundance on Earth and a low toxicity to humans and the environment. Unlike many commonly used photocatalysts that contain expensive precious metals, iron is cheap. READ MORE

4. 2. Implementation of the spectral element method and iterative solution techniques for 3D controlled-source electromagnetic modelling

   Author : Michael Weiss; Thomas Kalscheuer; Michael Becken; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Controlled source electromagnetis; Electromagnetic theory; Numerical modelling; Applied geophysics; Geo-Electromagnetics; Spectral element method; Iterative solution methods; Preconditioning;

   Abstract : Controlled-source electromagnetic methods are imaging techniques applied at/on the surface of the Earth which record the electromagnetic field in order to assess the electrical conductivity distribution of the Earth’s subsurface, along with anomalies in this material property, as well as to characterise and interpret structures in Earth’s crust. Extracting information from the recorded electromagnetic data requires inverse modelling algorithms. READ MORE

5. 3. Fundamental interactions in transition metal reactions

   Author : Michael R. Coates; Michael Odelius; Markus Kowalewski; Abhik Ghosh; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; quantum chemistry; electronic structure; multiconfigurational; density functional theory; molecular dynamics; excited state molecular dynamics; non-adiabatic dynamics; solvation; organometallic complexes; x-ray absorption spectroscopy; photoelectron spectroscopy; time-resolved spectroscopy; femtosecond; picosecond; kemisk fysik; Chemical Physics;

   Abstract : Transition metal complexes that participate in homogeneous reactions often perform the role of a catalyst, facilitating novel reaction pathways. When these complexes are pushed away from their equilibrium, the arrangement of the coordinating ligands around the metal center is perturbed and new reaction pathways are opened. READ MORE

6. 4. Adaptive Solvers for High-Dimensional PDE Problems on Clusters of Multicore Processors

   Author : Magnus Grandin; Sverker Holmgren; Michael Thuné; Michael Bader; Uppsala universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; adaptive mesh refinement; anisotropic refinement; exponential integrators; Lanczos algorithm; hybrid parallelization; time-dependent Schrödinger equation; Scientific Computing; Beräkningsvetenskap;

   Abstract : Accurate numerical solution of time-dependent, high-dimensional partial differential equations (PDEs) usually requires efficient numerical techniques and massive-scale parallel computing. In this thesis, we implement and evaluate discretization schemes suited for PDEs of higher dimensionality, focusing on high order of accuracy and low computational cost. READ MORE

7. 5. Radionuclides in the Baltic Sea : Ecosystem models and experiments on transport and fate

   Author : Linda Kumblad; Nils Kautsky; Ulrik Kautsky; Michael Gilek; Michael Thorne; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; radionuclide; baltic sea; ecosystem model; ecosystem dynamics; risk assessment; safety assessment; benthic invertebrates; bioturbation; bioaccumulation; remobilisation; Terrestrial; freshwater and marine ecology; Terrestisk; limnisk och marin ekologi;

   Abstract : Manmade radionuclides have been introduced to the environment for almost a century. The main source has been the nuclear weapons testing programmes, but accidental releases from the nuclear power production industries have also contributed. The risk to humans from potential releases from nuclear facilities is evaluated in safety assessments. READ MORE