Search for dissertations about: "Molecular relaxation"

Showing result 1 - 5 of 177 swedish dissertations containing the words Molecular relaxation.

  2. 1. Zero-Field Splitting in Gd(III) complexes : Towards a molecular understanding of paramagnetic relaxation

    Author : Shehryar Khan; Michael Odelius; Arnold Maliniak; Stockholms universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Zero-Field Splitting; Relaxation; Quantum Chemistry; Molecular Dynamics; Gd III ; kemisk fysik; Chemical Physics;

    Abstract : The prime objectives of contrast agents in Magnetic Resonance Imaging(MRI) is to accelerate the relaxation rate of the solvent water protons in the surrounding tissue. Paramagnetic relaxation originates from dipole-dipole interactions between the nuclear spins and the fluctuating magnetic field induced by unpaired electrons. READ MORE

  4. 2. Formation and Dynamics of Molecular Excitons and their Fingerprints in Nonlinear Optical Spectroscopy

    Author : Pär Kjellberg; Kemisk fysik; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; supraledare; magnetisk resonans; spektroskopi; Physical chemistry; Fysikalisk kemi; Photochemistry; Fotokemi; Kondenserade materiens egenskaper:elektronstruktur; magnetiska och optiska ; egenskaper elektriska; supraconductors; magnetic resonance; relaxation; spectroscopy; Fysik; Chemistry; Kemi; Condensed matter:electronic structure; electrical; Physics; Redfield relaxation theory ; Inhomogeneous broadening ; Time-dependent density functional theory ; Conjugated polymers ; Three-pulse photon echo ; Molecular excitons ; magnetic and optical properties; Nonlinear spectroscopy ;

    Abstract : An efficient transfer of energy in molecular systems has proven to be of fundamental importance both in nature and industrial applications. The ability of molecules to work together forming collective excitations, so-called excitons, plays a key role in for example the extraordinary fast energy transfer involved in the first steps of photosynthesis. READ MORE

  5. 3. Molecular recognition and dynamics in proteins studied by NMR

    Author : Johan Wallerstein; Biofysikalisk kemi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES; Chemical exchange; Conformational entropy; Entropy; Galectin-3; Isothermal Titration Calorimetry; ITC; Model-free formalism; Molecular recognition; Nuclear Magnetic Resonance; NMR; PGB1; Protein dynamics; Protein–ligand interactions; Proton-transfer reactions; Spin relaxation; Viscosity; Chemical exchange; Conformational entropy; Entropy; Galectin-3; Isothermal Titration Calorimetry; ITC; Model-free formalism; Molecular recognition; Nuclear Magnetic Resonance; NMR; PGB1; Protein dynamics; Protein–ligand interactions; Proton-transfer reactions; Spin relaxation; Viscosity;

    Abstract : Knowledge of dynamics in protein is very important in the description of protein function and molecular recognition. The thesis investigates protein dynamics on time-scales from milli- to sub-nanosecond, with focus on the latter, using NMR spin relaxation experiments on two proteins, the 138-residue carbohydrate recognition domain of galectin-3 (Gal3C) and the 56-residue B1 domain of bacterial protein G (PGB1). READ MORE

  6. 4. Probing Dynamics of Oligosaccharides by Interference Phenomena in NMR Relaxation

    Author : Leila Ghalebani; Jozef Kowalewski; Norbert Mueller; Stockholms universitet; []
    Keywords : MEDICAL AND HEALTH SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; NMR; sugars; oligosaccharides; carbon-13 relaxation; cross-correlated relaxation; molecular dynamics; internal motion; random jumps; PRE; paramagnetic relaxation; Chemistry; Kemi; fysikalisk kemi; Physical Chemistry;

    Abstract : Oligosaccharides (carbohydrates) are a large class of biological molecules that are important as energy sources in the human body and have enormously varied biological functions. It is generally believed that biological activities of carbohydrates are related to their internal dynamics. READ MORE

  7. 5. Gas phase molecular relaxation probed by synchrotron radiation experiments

    Author : Jaume Rius i Riu; KTH; []
    Keywords : Molecular relaxation; synchrotron radiation; dispersed fluorescence; photoelectron spectroscopy; energy resolved electron ion coincidence technique;

    Abstract : This thesis presents experimental studies of gas phasemolecular relaxation after excitation with synchrotron photonsin the 15-35 eV and in the 70-350 eV regions.In the 15-35 eV region, molecular relaxation by neutraldissociation processes and nonFranck-Condon effects in N2 and O2 molecules have beenstudied by means of dispersed fluorescence and photoelectronspectroscopy experimental techniques, respectively. READ MORE