Sökning: "oorganisk kemi"

Visar resultat 1 - 5 av 365 avhandlingar innehållade orden oorganisk kemi.

  1. 1. Theoretical Studies of Natural Gas Hydrates and H-bonded Clusters and Crystals

    Författare :Yuan Liu; Lars Ojamäe; Per-Olov Käll; Ben Slater; Linköpings universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES;

    Sammanfattning : In this thesis H-bonded systems (natural gas hydrates, water clusters, and crystal ice) are studied by density functional theory (DFT) computations.Natural gas hydrates (NGHs) play an important role in energy and environmental fields: NGHs are considered as a promising backup energy resource in the near-future due to their tremendous carbon content; improper exploration of NGHs could induce geological disasters and aggravate the greenhouse effect. LÄS MER

  2. 2. Synthesis of Biomimetic Systems for Proton and Electron Transfer Reactions in the Ground and Excited State

    Författare :Giovanny A. Parada; Sascha Ott; Ana Moore; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Solar energy conversion; artificial photosynthesis; hydrogen bonds; excited state intramolecular proton transfer; tautomerization; proton-coupled electron transfer; photosensitizer; ruthenium complex.; Chemistry with specialization in Organic Chemistry; Kemi med inriktning mot organisk kemi;

    Sammanfattning : A detailed understanding of natural photosynthesis provides inspiration for the development of sustainable and renewable energy sources, i.e. a technology that is capable of converting solar energy directly into chemical fuels. This concept is called artificial photosynthesis. LÄS MER

  3. 3. Experimental and quantum-chemical studies of the surface interactions between organic molecules and nanocrystals of (a) RE2O3 (RE = Y or Gd); and (b) TiOb2

    Författare :Henrik Pedersen; Per-Olov Käll; Lars-Johan Norrby; Linköpings universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Inorganic chemistry; Oorganisk kemi; Physical chemistry; Fysikalisk kemi;

    Sammanfattning : The increasing interest for using nanocrystals in bio-medical and optical applications has highlighted the need of molecular functionalisation of nanocrystals. Knowledge of how to attach molecules to the nanocrystal surface is a key factor. LÄS MER

  4. 4. Light-Metal Hydrides for Hydrogen Storage

    Författare :Martin Sahlberg; Yvonne Brandt Andersson; Björgvin Hjörvarsson; Björn Hauback; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; Metal-hydrogen compounds; hydrides; hydrogen storage; X-ray diffraction; neutron diffraction; thermal desorption spectroscopy; Chemistry; Kemi; Inorganic chemistry; Oorganisk kemi; Inorganic Chemistry; oorganisk kemi;

    Sammanfattning : Demands for zero greenhouse-gas emission vehicles have sharpened with today’s increased focus on global warming. Hydrogen storage is a key technology for the implementation of hydrogen powered vehicles. LÄS MER

  5. 5. Biomimetic Iron Complexes involved in Oxygenation and Chlorination : A Theoretical Study

    Författare :Holger Noack; Margareta R. A. Blomberg; Per E. M. Siegbahn; Martin Kaupp; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; biomimetic; iron; density functional theory; intradiol; chlorination; adpic acid; diamond core; reactivity; Bio-inorganic chemistry; Bio-oorganisk kemi; Theoretical chemistry; Teoretisk kemi; Chemical Physics; kemisk fysik;

    Sammanfattning : Biomimetic chemistry is directed towards the simulation of enzymatic reactivity with synthetic analogues. In this thesis a quantum chemical method has been employed to study the mechanism of highly reactive iron-oxo complexes involved in oxygenation and chlorination of organic substrates. LÄS MER