Sökning: "Michael Odelius"
Visar resultat 1 - 5 av 16 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
Sammanfattning : .... LÄS MER
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
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
5. A theoretical perspective on photoinduced reactions - based on quantum chemical models and non-adiabatic molecular dynamics
Sammanfattning : The broad range of applications for photochemical reactions is the result of light-matter interaction at the electronic level. The diverse application of photochemistry in various fields, including photovoltaic materials, molecular switches, and biological systems are due to electronic and structural transformations induced by photoexcitation as well as molecular alteration due to electron and charge transfer. LÄS MER