Sökning: "Nessima Salhi-Benachenhou"
Hittade 4 avhandlingar innehållade orden Nessima Salhi-Benachenhou.
1. Semiempirical and Ab initio MO studies of charge transfer systems and radical cations
Sammanfattning : .... LÄS MER
2. Quantum Chemical Calculations on ESR, Core Excitations, and Isotope Effects in Molecular Systems
Sammanfattning : In this thesis, quantum chemical calculations are undertaken mostly in order to interpret experimental results, but also to learn about computational techniques, their performance and their limitations. In paper I, the ionization-cleavage process of alkenes is investigated and two pathways are followed, one of initial cleavage and subsequent ionization and on the opposite, the other one of initial ionization and subsequent cleavage. LÄS MER
3. Modelling Chemical Reactions : Theoretical Investigations of Organic Rearrangement Reactions
Sammanfattning : 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. LÄS MER
4. Quantum Chemical Studies of Radical Cation Rearrangement, Radical Carbonylation, and Homolytic Substitution Reactions
Sammanfattning : Quantum chemical calculations have been performed to investigate radical cation rearrangement, radical carbonylation, and homolytic substitution reactions of organic molecules. The rearrangement of the bicyclopropylidiene radical cation to the tetramethyleneethane radical cation is predicted to proceed with stepwise disrotatory opening of the two rings. LÄS MER