Search for dissertations about: "dynamical properties"

Showing result 1 - 5 of 256 swedish dissertations containing the words dynamical properties.

  2. 1. Computational Analysis of Carbohydrates : Dynamical Properties and Interactions

    Author : Robert Eklund; Göran Widmalm; Sören B. Engelsen; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Carbohydrate; DFT; ab initio; docking calculations; Molecular dynamics; Langevin Dynaimcs; structure analysis; carbohydrate-protein interaction; Chemical shift calculations; Spin spin coupling constants.; Organic chemistry; Organisk kemi;

    Abstract : In this thesis a computational complement to experimental observables will be presented. Computational tools such as molecular dynamics and quantum chemical tools will be used to aid in the interpretation of experimentally (NMR) obtained structural data. READ MORE

  4. 2. Dynamical properties of macromolecular interfaces

    Author : Erik Lindahl; KTH; []
    Keywords : ;

    Abstract : .... READ MORE

  5. 3. Properties of invariant sets in certain two-dimensional dynamical systems : Renormalization and beyond

    Author : Dan Lilja; Denis Gaidashev; Konstantin Khanin; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Dynamical systems; renormalization; area-preserving maps; unbounded geometry; almost commuting pairs; universality; non-rigidity;

    Abstract : This thesis consists of an introduction and four research papers concerning dynamical systems, focusing on renormalization in two dimensions.Paper I (joint with Jordi-Lluís Figueras) studies a generalization of the anti-integrable limit of skew-product systems based on a Frenkel-Kontorova model. READ MORE

  6. 4. Cohesive and Spectroscopic properties of the Lanthanides within the Hubbard I Approximation

    Author : Inka Laura Marie Locht; Igor Di Marco; Olle Eriksson; Annalisa Fasolino; Mikhail I. Katsnelson; Tim Wehling; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Lantanides; rare earths; cohesive properties; volume; bulk modulus; magnetism; magnetic properties; photoemission spectroscopy; XPS; BIS; Hubbard I Approximation; DMFT; DFT; RSPt; Full Potential Linear Muffin-tin orbitals; 4f electrons; localization; bonding; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Abstract : We describe the rare-earth elements using the Hubbard I approximation. We show that the theory reproduces the cohesive properties, like the volume and bulk modulus, and we find an excellent agreement between theory and experiment for the (inverse) photo emission spectra of the valence band. READ MORE

  7. 5. Dynamical Properties of Quasi-periodic Schrödinger Equations

    Author : Kristian Bjerklöv; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Schrödinger equations; Schrödinger operators; positive Lyapunov exponents; invariant measures; minimality; measure of spectrum; MATHEMATICS; MATEMATIK;

    Abstract : .... READ MORE