Sökning: "Michael Odelius"

Visar resultat 1 - 5 av 14 avhandlingar innehållade orden Michael Odelius.

  1. 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

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

    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. 2. Molecular dynamics simulations of intermolecular mechanisms in nuclear spin relaxation

    Författare :Michael Odelius; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES; Atomfysik; Molekylfysik; Fysikalisk kemi;

    Sammanfattning : .... LÄS MER

  3. 3. Theoretical and Numerical Studies of Efimov States

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

    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

  4. 4. Interactions and dynamics in biophysical model systems

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

    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. 5. In pursuit of next generation photovoltaics : An electronic structure study of emerging solar cell materials

    Författare :Axel Erbing; Michael Odelius; David Scanlon; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Solar cells; computational physics; density functional theory; electronic structure; molecular dynamics; Solceller; beräkningsfysik; täthetsfunktionalteori; elektronstruktur; molekyldynamik; Theoretical Physics; teoretisk fysik;

    Sammanfattning : The development of a new generation of photovoltaic technologies is an important task in order to increase the production of clean energy. Perovskite solar cells, with an exceptionally rapid development over the last decade, have transformed into perhaps the most promising candidate to provide a low-cost alternative to conventional cells. LÄS MER