Sökning: "Michael Odelius"
Visar resultat 1 - 5 av 17 avhandlingar innehållade orden Michael Odelius.
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
Sammanfattning : 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. LÄS MER
2. Fundamental interactions in transition metal reactions
Sammanfattning : 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. LÄS MER
3. Molecular dynamics simulations of intermolecular mechanisms in nuclear spin relaxation
Sammanfattning : .... LÄS MER
4. Theoretical and Numerical Studies of Efimov States
Sammanfattning : 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. LÄS MER
5. Interactions and dynamics in biophysical model systems
Sammanfattning : 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. LÄS MER
