Search for dissertations about: "time-dependent spectroscopy"

Showing result 21 - 25 of 41 swedish dissertations containing the words time-dependent spectroscopy.

  1. 21. On the quantitative analysis of electronic energy transfer/migration in proteins studied by fluorescence spectroscopy

    Author : Mikael Isaksson; Lennart Johansson; Bo Albinsson; Umeå universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Biophysical Chemistry; Biophysical chemistry; Biofysikalisk kemi;

    Abstract : Two recently developed theories of electronic energy transfer/migration were for the first time applied to real protein systems for extracting molecular distances. The partial donor-donor energy migration (PDDEM) is an extension to the previously developed donor-donor energy migration (DDEM, F Bergström et al PNAS 96, 1999, 12477) which allows using chemically identical but photophysically different fluorophores in energy migration experiments. READ MORE

  2. 22. Excited State Processes in Solar Energy Materials

    Author : Tomas Österman; Kemisk fysik; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Solar cells; Conjugated polymers; Charge transfer state; Time-resolved spectroscopy; Fluorescence; Artificial Photosynthesis; Bis-tridentate ruthenium II -complexes; Density functional theory; Quantum chemistry.;

    Abstract : This dissertation covers studies of excited state processes in two types of solar energy materials: alternating polyfluorene polymers and their blends with fullerenes in the active layer of plastic solar cells, and bis-tridentate RuII-polypyridyl complexes to be used as sensitizer in systems for artificial photosynthesis. The polymer:fullerene blends were studied by transient absorption and time-resolved fluorescence measurements in order to investigate the role of the charge transfer (CT) state in charge formation. READ MORE

  3. 23. Coupled electron-nuclear dynamics in inelastic X-ray scattering

    Author : Rafael Carvalho Couto; Victor Kimberg; Piero Decleva; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; X-ray spectroscopy; resonant inelastic X-ray scattering; water; carbon monoxide; Teoretisk kemi och biologi; Theoretical Chemistry and Biology;

    Abstract : This Thesis is devoted to theoretical and experimental studies of resonant inelastic X-ray scattering (RIXS) of carbon monoxide and water molecules. Using state-of-the-art ab initio electronic structure calculations and a time-dependent wave packet formalism, we make a complete analysis of the experimental RIXS spectra of the two molecular systems. READ MORE

  4. 24. A theoretical perspective on photoinduced reactions - based on quantum chemical models and non-adiabatic molecular dynamics

    Author : Sambit Das; Michael Odelius; Mårten Ahlquist; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Non-adiabatic dynamics; Molecular dynamics; Surface hopping; TDDFT; X-ray absorption spectroscopy; kemisk fysik; Chemical Physics;

    Abstract : The broad range of applications for photochemical reactions is the result of light-matter interaction at the electronic level. The diverse application of photochemistry in various fields, including photovoltaic materials, molecular switches, and biological systems are due to electronic and structural transformations induced by photoexcitation as well as molecular alteration due to electron and charge transfer. READ MORE

  5. 25. Theoretical Studies on Electronic and Vibrationally Resolved Multi-Photon Absorption and Dichroism

    Author : Na Lin; Yi Luo; Marcel Nooijen; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Multi-photon absorption and dichroism; Vibronically resolved spectroscopy; Quantum chemistry; Kvantkemi;

    Abstract : This thesis presents time-dependent density functional theory studies on electronic and vibronically resolved linear and nonlinear optical absorption and dichroism spectra of organic molecules. Special attention has been paid to the influence of solvent environment and molecular vibrations on one-, two- and three-photon absorption and one- and two-photon circular dichroism. READ MORE