Search for dissertations about: "Michael Odelius"

Showing result 1 - 5 of 17 swedish dissertations containing the words Michael Odelius.

  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. 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

  5. 3. Molecular dynamics simulations of intermolecular mechanisms in nuclear spin relaxation

    Author : Michael Odelius; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Atomfysik; Molekylfysik; Fysikalisk kemi;

    Abstract : .... READ MORE

  6. 4. Theoretical and Numerical Studies of Efimov States

    Author : Kajsa-My Blomdahl; Svante Jonsell; Michael Odelius; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; teoretisk fysik; Theoretical Physics;

    Abstract : In contrast to the classical case, the quantum three-body problem is amenable to qualitative analysis and, in some cases, even to analytic solutions. In 1970, Vitaly Efimov predicted that resonant two-body forces could give rise to a series of bound energy levels in three-particle systems. READ MORE

  7. 5. Interactions and dynamics in biophysical model systems

    Author : Erik G. Brandt; Olle Edholm; Michael Odelius; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Biological physics; Biologisk fysik;

    Abstract : Computer simulations of simplified model systems provide understanding of how complex biological systems behave. The simulations give detailed information about the systems, with atomistic resolution, that can be used in combination with experimental knowledge to shed light on underlying physical principles. READ MORE