Sökning: "oorganisk kemi"
Visar resultat 1 - 5 av 365 avhandlingar innehållade orden oorganisk kemi.
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. Synthesis of Biomimetic Systems for Proton and Electron Transfer Reactions in the Ground and Excited State
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. Experimental and quantum-chemical studies of the surface interactions between organic molecules and nanocrystals of (a) RE2O3 (RE = Y or Gd); and (b) TiOb2
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
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
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