Search for dissertations about: "Michael R. Coates"

Found 2 swedish dissertations containing the words Michael R. Coates.

  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