Search for dissertations about: "Molekylfysik"

Showing result 21 - 25 of 578 swedish dissertations containing the word Molekylfysik.

  1. 21. Distorted Space and Multipoles in Electronic Structure Calculations

    Author : Fredrik Bultmark; Lars Nordström; Susanne Mirbt; Olle Eriksson; Sergej Savrasov; Uppsala universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Physics; materials science; condensed matter theory; density functional theory; Magnetism; Atomic and molecular physics; Atom- och molekylfysik;

    Abstract : This thesis concerns methods for electronic structure calculations and some applications of the methods. The augmented planewave (APW) basis set and it’s relatives LAPW (linearised APW) and APW+lo (local orbitals) have been widely used for electronic structure calculations. READ MORE

  2. 22. Recombination and ionization of astrophysically abundant ions

    Author : Michael Jr. Fogle; Reinhold Schuch; Daniel Savin; Stockholms universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; atomic data; plasma; Atomic and molecular physics; Atom- och molekylfysik;

    Abstract : The electron-ion recombination and electron-impact ionization of several astrophysically abundant C, N, O, and Ni ions have been investigated using the synchrotron storage ring CRYRING. The recombination rate coefficients predominanty used in the analyses of emission line spectra and for ionization balance calculations are determined from isoelectronic fits and extrapolations of theoretical and limited experimental results available from the literature. READ MORE

  3. 23. Precision Improvements of Penning Trap Mass Measurements Using Highly Charged Ions : Applications to solving current problems in fundamental physics

    Author : Tomas Fritioff; Reinhold Schuch; Jürgen Kluge; Stockholms universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Atomic and molecular physics; Atom- och molekylfysik; Physics; fysik;

    Abstract : In my thesis I describe the improvements of the Penning trap mass spectrometer SMILETRAP. The objective of these improvements have been to increase the reliability and the accuracy with which an atomic mass can be measured using highly charged ions. READ MORE

  4. 24. Fragmentation of Amino Acids and Microsolvated Peptides and Nucleotides using Electrospray Ionization Tandem Mass Spectrometry

    Author : Henrik Johansson; Henning Schmidt; Henrik Cederquist; Jens Jensen; Stockholms universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Atomic and molecular physics; Atom- och molekylfysik; fysik; Physics;

    Abstract : This thesis presents three different series of high energy (keV) collision experiments as well as a brief scientific introduction to the field. In the first series, protonated glycine and leucine were collided with carbon dioxide and a beam attenuation method was applied to determine their total fragmentation cross sections. READ MORE

  5. 25. The Rôle of Side-Chains in Polymer Electrolytes for Batteries and Fuel Cells

    Author : Jaanus Karo; Hans Siegbahn; Daniel Brandell; Patrik Johansson; Uppsala universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES; molecular dynamics; polymer electrolytes; side-chains; Li-ion batteries; proton exchange membrane fuel cell PEMFC ; PFSA membrane; Other chemistry; Övrig kemi; Atomic and molecular physics; Atom- och molekylfysik; Materialvetenskap; Materials Science;

    Abstract : The subject of this thesis relates to the design of new polymer electrolytes for battery and fuel cell applications. Classical Molecular Dynamics (MD) modelling studies are reported of the nano-structure and the local structure and dynamics for two types of polymer electrolyte host: poly(ethylene oxide) (PEO) for lithium batteries and perfluorosulfonic acid (PFSA) for polymer-based fuel cells. READ MORE