Sökning: "Dissociation dynamics"
Visar resultat 21 - 25 av 81 avhandlingar innehållade orden Dissociation dynamics.
21. DNA Interaction Dynamics of Ruthenium(II) Complexes
Sammanfattning : DNA-binding of small synthetic ligands is of great importance in a number of different applications, from medicine to molecular biology. This thesis focuses on interactions between DNA and ruthenium(II) complexes, in particular the dimers [µ-bidppz(L)4Ru2]4+ (L=1,10-phenanthroline (P) or L=2,2-bipyridine (B)). LÄS MER
22. Charge and proton dynamics in molecules and free clusters : from atomic to nanometer scale
Sammanfattning : The origin of properties in complex systems can often be traced to mechanisms involving charge and energy transfer in only a few embedded molecules. The detailed study of the time evolution of these mechanisms in their original environment is a challenging task. LÄS MER
23. Electronic Structure and Core-Hole Dynamics of Ozone : Synchrotron-radiation based studies and ab-initio calculations
Sammanfattning : The electronic structure of the ozone molecule O3 has been studied with spectroscopy techniques and computations. The investigation was focused on O3 in a core-hole state. The electronic configuration and the nuclear dynamics have been found to be highly correlated. LÄS MER
24. Quantum Nuclear Dynamics in Resonant X-ray Scattering of Gas-Phase and Liquid Systems
Sammanfattning : This thesis focuses on the role of the nuclear degrees of freedom in X-ray induced molecular processes. An important part of it is devoted to establishing theoretical principles to model and interpret high-resolution resonant X-ray scattering experiments in gases and liquids. LÄS MER
25. Multimode resonant X-ray scattering of free molecules
Sammanfattning : This thesis is focused on the role that nuclear dynamics plays in the formation of X-ray absorption (XAS) and resonant inelastic X-ray scattering (RIXS) spectra of multimode free molecules. A combined approach based on ab initio electronic structure methods and quantum nuclear wave packet dynamics is applied to two systems -- water and methanol in the gas phase. LÄS MER
