Avancerad sökning
Hittade 4 avhandlingar som matchar ovanstående sökkriterier.
1. Theoretical Studies on Vibrationally Resolved Optical Spectra of Polycyclic Aromatic Molecules
Sammanfattning : Polycyclic aromatic molecules are of great interest owing to their many important applications in chemistry and have therefore been the focus of investigations for over half a century with spectroscopic techniques. This thesis is devoted to the modeling of vibrationally resolved optical spectra of polycyclic aromatic molecules. LÄS MER
2. Density Functional Response Theory with Applications to Electron and Nuclear Magnetic Resonance
Sammanfattning : This thesis presents quantum chemical calculations, applications of the response function formalism recently implemented within the framework of density functional theory by our research group. The purpose of the calculations is to assess the performance of this perturbative approach to determining heavy atom effects on magnetic resonance parameters. LÄS MER
3. Charge-transfer excitations and phtophysical properties of molecular building blocks
Sammanfattning : This thesis reports a state-of-the-art theoretical study of photophysical properties of organic charge-transfer aromatic molecules. These molecules are building blocks of molecular functional materials used in modern photonics technology and play essential roles in chemistry and biology in general. LÄS MER
4. On the Relative Utility of 3D Interfaces
Sammanfattning : Three-dimensional (3D) interfaces are made with the ambition to reinvent traditional two-dimensional (2D) displays into intuitive 3D environments that allow natural interactions and guarantee users’ satisfaction. However, reality is far from the expectations and 3D interfaces remain experimental. LÄS MER
