Search for dissertations about: "hydrogen bonding"

Showing result 11 - 15 of 186 swedish dissertations containing the words hydrogen bonding.

  2. 11. Bicyclo[3.3.1]nonanes as Scaffolds in Supramolecular Chemistry : From Host-Guest Systems to Hydrogen-Bonded Aggregates

    Author : Anna Lidskog; Centrum för analys och syntes; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; supramolecular chemistry; host-guest system; non-covalent interactions; hydrogen bonding; aromatic interactions; electrostatic interactions; synthetic receptors; self-assembly; nanotubes;

    Abstract : This thesis describes the use of bicyclo[3.3.1]nonane and its heteroanalogue 1,5- diazabicyclo[3.3. READ MORE

  4. 12. Structure Dependent Chemical and Biological Interactions of Poly(urethane urea)s

    Author : Katrin Gisselfält; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; biomaterial; synthesis; hydrogen bonding; biological interactions; structure; properties; poly urethane urea ;

    Abstract : Poly(urethane urea)s, PUURs, are widely used in both industrial and biological applications because of excellent physical and mechanical properties and good biocompatibility in a variety of applications. Both the processing and the tailoring of specific properties of PUUR demand great knowledge of structure-property relationships. READ MORE

  5. 13. Ab initio simulations of vibrational and electronic structure evaluated against K-edge resonant inelastic X-ray scattering

    Author : Emelie Ertan; Michael Odelius; Laurent Duda; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; resonant inelastic X-ray scattering; hydrogen bonding; ultra fast dynamics; density functional theory; multi-configurational calculations; kemisk fysik; Chemical Physics;

    Abstract : The work of this thesis is focused on investigation of electronic and molecular structure and dynamics a molecular species in solutions and minerals in relation to resonant inelastic X-ray scattering (RIXS). The studies have been carried out by means of quantum chemistry calculations using density functional theory (DFT) and multi-configurational methods and quantum dynamics simulations using wave packet dynamics and ab initio molecular dynamics. READ MORE

  6. 14. Water-Metal Surfaces : Insights from core-level spectroscopy and density functional theory

    Author : Theanne Schiros; Anders Nilsson; John Hemminger; Stockholms universitet; []
    Keywords : water; hydroxyl; metal; surfaces; x-ray spectroscopy; density functional theory; bonding; fuel cell; kemisk fysik; Chemical Physics;

    Abstract : Computational methods are combined with synchrotron-based techniques to analyze the structure and bonding of water and water plus hydroxyl at metal surfaces under UHV and at near-ambient conditions. Water-metal interaction plays a crucial role in a multitude of cosmic, atmospheric and biological phenomena as well as heterogeneous catalysis, electrochemistry and corrosion. READ MORE

  7. 15. Structure-Specific Vibrational Modes of Isolated Biomolecules Studied with Mid- and Far-Infrared Laser Spectroscopy

    Author : Vasyl Yatsyna; Göteborgs universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; far-infrared gas-phase spectroscopy; conformers; vibrational anharmonicity; infrared multiple photon dissociation; peptide structure; folded and extended peptides; hydrogen bonding;

    Abstract : Biomolecular structure elucidation is crucial for our detailed understanding of various biological processes, since there is an intimate relationship between the biomolecular function and structure. In this respect, isolated biomolecules, despite being outside of their natural environment, are perfect model systems for in-depth studies of various fundamental interactions that govern the formation of biomolecular structure. READ MORE