Sökning: "dynamics coupling"

Visar resultat 1 - 5 av 295 avhandlingar innehållade orden dynamics coupling.

  1. 1. Conformational Dynamics of Carbohydrates Studied by NMR Spectroscopy and Molecular Simulations

    Författare :Jennie Östervall; Göran Widmalm; C. Allen Bush; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Carbohydrates; NMR; Molecular Dynamics; Conformation; Dynamics; Residual Dipolar Couplings; Cyclodextrins; Oligosaccharides; Organic chemistry; Organisk kemi;

    Sammanfattning : Carbohydrates play important roles in biological processes. Their function is closely related to their conformation. In this thesis, conformational studies of carbohydrates by NMR spectroscopy and molecular dynamics computer simulations are described. LÄS MER

  3. 2. Ultrafast Photo-induced Reaction Dynamics of Small Molecules

    Författare :Malin Kadi; Jan Davidsson; Eva Åkesson; Sören Keiding; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physical chemistry; pump-probe spectroscopy; reaction dynamics; photodissociation; aryl halides; spin-orbit coupling; ab initio calculations; molecular dynamics; vibrational wavepackets; Fysikalisk kemi; Physical chemistry; Fysikalisk kemi;

    Sammanfattning : The main focus of this thesis is the investigation of the dissociation dynamics of aryl halides using femtosecond pump-probe spectroscopy. In the monohalogenated aryl halides, iodo-, bromo- and chlorobenzene, the rate of dissociation following excitation at 266 nm in the gas phase increased with increasing mass of the halogen atom. LÄS MER

  4. 3. Excited state dynamics in the strong coupling regime

    Författare :Jürgen Mony; Göteborgs universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Strong exciton-photon coupling; Excited state dynamics; light-matter interactions; photoswitch; aggregated states;

    Sammanfattning : Strong exciton-photon coupling exhibits the possibility to modify photophysical and photochemical properties of organic molecules without changing their structure. This is due to the formation of hybrid light-matter states, called polaritons, which are created when the strong coupling regime is achieved. LÄS MER

  5. 4. Models for coupled active-passive population dynamics : Mathematical analysis and simulation

    Författare :Thi Kim Thoa Thieu; Adrian Muntean; Matteo Colangeli; Grigorios A. Pavliotis; Karlstads universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; pedestrian dynamics; simple exclusion process; Forchheimer flows; Skorohod equations; nonlinear coupling; heterogenous domain; homogenization; drafting; evacuation; Matematik; Mathematics;

    Sammanfattning : In this dissertation, we study models for coupled active--passive pedestrian dynamics from mathematical analysis and simulation perspectives. The general aim is to contribute to a better understanding of complex pedestrian flows. LÄS MER

  7. 5. Magnetization dynamics on the nanoscale : From first principles to atomistic spin dynamics

    Författare :Jonathan Philippe Chico Carpio; Anders Bergman; Samir Lounis; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : In this thesis first-principles methods, based on density functional theory, have been used to characterize a wide range of magnetic materials. Special emphasis has been put on pairwise magnetic interactions, such as Heisenberg exchange and Dzyaloshinskii-Moriya interactions, and also on in the Gilbert damping parameter. LÄS MER