Sökning: "solvation dynamics"

Visar resultat 21 - 25 av 47 avhandlingar innehållade orden solvation dynamics.

  1. 21. Ultrafast Dynamics in Ground and Excited States of Porphyrin Molecules

    Författare :Peter Martinsson; Kemisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; intra- and intermolecular dynamics.; Zn-porphyrin; bacteriochlorophyll a; chlorophyll b; Femtosecond transient absorption spectroscopy; chlorophyll a; Physical chemistry; Fysikalisk kemi;

    Sammanfattning : This thesis describes inter and intramolecular dynamics in porphyrin molecules. To create a basis for understanding the energy and electron transfer processes in photosynthesis, the ultrafast dynamics of monomeric chlorophyll a, chlorophyll b and bacteriochlorophyll a were studied with ultrashort laser pulses. LÄS MER

  3. 22. Nuclear hormone receptors studied by molecular dynamics computer simulations

    Författare :Peter Carlsson; Karolinska Institutet; Karolinska Institutet; []
    Nyckelord :Nuclear hormone receptor; glucocorticoid; molecular dynamics; simulation; ligand; coactivator; protein; solvation;

    Sammanfattning : Nuclear hormone receptors form a super family of homologous transcription factors. The liganddependent nuclear receptors are important drug targets controlling metabolic and inflammatory disorders, amongst others. LÄS MER

  4. 23. Structure and Dynamics in Liquid Battery Electrolytes

    Författare :Gustav Åvall; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : The introduction of Sony’s rechargeable lithium-ion battery in 1991 sparked a transformation of our everyday life, enabling wide-spread use of portable electronics, such as smartphones and laptops. Furthermore, in recent years the increased usage of electrical vehicles and the on-going change to transient renewable energy sources has created a large interest in cheaper, safer, more sustainable, long-lasting and energy denser batteries. LÄS MER

  5. 24. Applications of Molecular Dynamics in Atmospheric and Solution Chemistry

    Författare :Xin Li; Hans Ågren; Ari Laaksonen; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; Teoretisk kemi;

    Sammanfattning : This thesis focuses on the applications of molecular dynamics simulation techniques in the fields of solution chemistry and atmospheric chemistry. The work behind the thesis takes account of the fast development of computer hardware, which has made computationally intensive simulations become more and more popular in disciplines like pharmacy, biology and materials science. LÄS MER

  7. 25. Neutron Scattering Experiments and Computer Simulation Studies of a Polymer Electrolyte

    Författare :Patrik Carlsson; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; neutron scattering; reverse Monte Carlo simulation; PPO-LiClO4; poly propylene oxide ; polymer electrolytes; polymer dynamics;

    Sammanfattning : Polymer electrolytes are regarded as key components in promising new types of batteries for portable electronic devices and electric cars. Batteries for such applications require polymer electrolytes with improved properties, e.g. a higher ionic conductivity. LÄS MER