Search for dissertations about: "quantum chemical"
Showing result 1 - 5 of 498 swedish dissertations containing the words quantum chemical.
-
1. Quantum photoelectrochemistry : Theoretical studies of organic adsorbates on metal oxides surfaces
Abstract : Interactions between organic molecules and transition metal oxide surfaces have been investigated by means of quantum chemical calculations. The studies have been aimed at understanding electrode-adsorbate interactions in photoelectrochemical devices, such as dye-sensitized solar cells. READ MORE
-
2. Quantum optics in constrained geometries
Abstract : When light exhibits particle properties, and when matter exhibits wave properties quantum mechanics is needed to describe physical phenomena. A two-photon source produces nonmaximally entangled photon pairs when the source is small enough to diffract light. It is shown that diffraction degrades the entanglement. READ MORE
-
3. Modelling Chemical Reactions : Theoretical Investigations of Organic Rearrangement Reactions
Abstract : Chemical reactions are ubiquitous and very important for life and many other processes taking place on earth. In both theoretical and experimental studies of reactivity a transition state is often used to rationalise the outcome of such studies. READ MORE
-
4. Reaction mechanisms in metal-containing systems with emphasis on metalloenzymes : quantum chemical studies
Abstract : .... READ MORE
-
5. Quantum Chemical Interpretation of Protein Crystal Structure
Abstract : An initial model in the crystallographic structure determination process, usually contains many errors. To produce an accurate model, one must carry out several cycles of crystallographic refinement. READ MORE
