Sökning: "time-dependent spectroscopy"
Visar resultat 16 - 20 av 41 avhandlingar innehållade orden time-dependent spectroscopy.
16. An Ultrafast Spectroscopic and Quantum-Chemical Study of the Photochemistry of Bilirubin : Initial Processes in the Phototherapy for Neonatal Jaundice
Sammanfattning : Bilirubin is a degradation product of haem, which is constantly formed in allmammals. Increased levels of bilirubin in humans lead to jaundice, a conditionthat is very common during the first days after birth. This neonataljaundice can routinely be treated by phototherapy without any serious sideeffects. LÄS MER
17. Ground and Excited State Aromaticity : Design Tools for π-Conjugated Functional Molecules and Materials
Sammanfattning : The main focus of this thesis is on the aromaticity of the ground state and electronically excited states of π-conjugated molecules and polymers, as well as how aromaticity is connected to their properties.The electronic structures of polybenzenoid hydrocarbons (PBHs) were explored through density functional theory (DFT) calculations and the π-component of the electron localization function (ELFπ). LÄS MER
18. Characterization of ATP-dependent protein dynamics under native-like conditions
Sammanfattning : Proteins are biological macromolecules capable of accelerating biochemical reactions. To accomplish this, proteins undergo changes in their molecular structure. Advances in structural biology have resulted in ever-increasing numbers of high-resolution protein structures. LÄS MER
19. Reconstructing force from harmonic motion
Sammanfattning : High-quality factor oscillators are often used in measurements of verysmall force since they exhibit an enhanced sensitivity in the narrow frequencyband around resonance. Forces containing frequencies outside this frequencyband are often not detectable and the total force acting on the oscillatorremains unknown. LÄS MER
20. First principles modeling of soft X-ray spectroscopy of complex systems
Sammanfattning : The electronic structures of complex systems have been studied by theoretical calculations of soft x-ray spectroscopies like x-ray photoelectron spectroscopy, near edge x-ray absorption fine structure, and x-ray emission spectroscopies. A new approach based on time dependent density functional theory has been developed for the calculation of shake-up satellites associated with photoelectron spectra. LÄS MER