Search for dissertations about: "time-dependent spectroscopy"

Showing result 16 - 20 of 41 swedish dissertations containing the words time-dependent spectroscopy.

  2. 16. An Ultrafast Spectroscopic and Quantum-Chemical Study of the Photochemistry of Bilirubin : Initial Processes in the Phototherapy for Neonatal Jaundice

    Author : Burkhard Zietz; Tomas Gillbro; Jouko Korppi-Tommola; Umeå universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Bilirubin; Phototherapy; Neonatal Jaundice; Femtosecond Spectroscopy; CASSCF; TD-DFT; Isomerisation Dynamics; Biophysical chemistry; Biofysikalisk kemi;

    Abstract : 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. READ MORE

  4. 17. Ground and Excited State Aromaticity : Design Tools for π-Conjugated Functional Molecules and Materials

    Author : Christian Dahlstrand; Henrik Ottosson; Miguel Solà; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; fulvene; fulvalene; polyfulvene; aromaticity; triplet state; excited state; Clar structure; polybenzenoid hydrocarbons PBH ; conjugated polymers; computational chemistry; optical spectroscopy; Kemi med inriktning mot organisk kemi; Chemistry with specialization in Organic Chemistry;

    Abstract : 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). READ MORE

  5. 18. Characterization of ATP-dependent protein dynamics under native-like conditions

    Author : Harsha Ravishankar; Magnus Andersson; Hans Wolf-Watz; Lise Arleth; Umeå universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; proteins; membrane proteins; structural dynamics; ATPases; MD simulations; X-ray scattering; FTIR spectroscopy; ATP; TR-XSS; structural biology.; Biochemistry; biokemi;

    Abstract : 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. READ MORE

  6. 19. Reconstructing force from harmonic motion

    Author : Daniel Platz; David B. Haviland; John E. Sader; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; oscillator; force spectroscopy; atomic force microscopy; intermodulation; multifrequency; inverse problem; high quality factor;

    Abstract : 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. READ MORE

  7. 20. First principles modeling of soft X-ray spectroscopy of complex systems

    Author : Barbara Brena; Yi Luo; Vincenzo Carravetta; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Molecular; Theoretical chemistry; Teoretisk kemi;

    Abstract : 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. READ MORE