Sökning: "hydrogen bond network"

Visar resultat 1 - 5 av 22 avhandlingar innehållade orden hydrogen bond network.

  1. 1. Probing unoccupied electronic states in aqueous solutions

    Författare :Lars-Åke Näslund; Anders Nilsson; Hendrik Bluhm; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; x-ray absorption; x-ray absorption spectroscopy; XAS; NEXAFS; water; liquid water; aqueous solution; hydrogen bond; hydrogen bond network; local geometry; Physics; Fysik;

    Sammanfattning : Water is one of the most common compounds on earth and is essential for all biological activities. Water has, however, been a mystery for many years due to the large number of unusual chemical and physical properties, e.g. decreased volume during melting and maximum density at 4 °C. LÄS MER

  2. 2. Hydrogen Bonding in Liquid Alcohols

    Författare :Per Sillrén; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Hydrogen Bonded Liquids; Physics of liquids; Diffraction; Monte Carlo Simulation; Alcohols; Neutron Scattering; EPSR;

    Sammanfattning : Hydrogen bonded (H-bonded) materials, such as water, alcohols, sugars, and even DNA, are extremely important for biology, as well as chemical industry. Alcohols are used as solvents in paints, in perfumes, as cleaners, anti-freezers, or as an alternative to petrol in combustion engines. LÄS MER

  3. 3. Core Level Spectroscopy of Water and Ice

    Författare :Dennis Nordlund; Anders Nilsson; Martin Wolf; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; x-ray adsorption spectroscopy; photoemission spectroscopy; x-ray photoelectron spectroscopy; platinum; x-ray emission spectroscopy; density functional theory; hydrogen-bonded; H-bond; water; ice; electronic structure; excited state dynamics; proton dynamics; water adsorption; liquid water; Physics; Fysik;

    Sammanfattning : A core level spectroscopy study of ice and water is presented in this thesis. Combining a number of experiments and spectrum calculations based on density functional theory, changes in the local valence electronic structure are shown to be sensitive to the local H-bonding configurations. LÄS MER

  4. 4. Quantum Nuclear Dynamics in Resonant X-ray Scattering of Gas-Phase and Liquid Systems

    Författare :Vinicius Vaz da Cruz; Victor Kimberg; Faris Gel'mukhanov; Hans Ågren; Philippe Wernet; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; resonant inelastic X-ray scattering; X-ray absorption; water; methanol; CO; rotational doppler effect; recoil; wave packet; non-Franck-Condon effect; ultra-fast molecular dissociation; potential energy surface; hydrogen bond; liquid; Teoretisk kemi och biologi; Theoretical Chemistry and Biology;

    Sammanfattning : This thesis focuses on the role of the nuclear degrees of freedom in X-ray induced molecular processes. An important part of it is devoted to establishing theoretical principles to model and interpret high-resolution resonant X-ray scattering experiments in gases and liquids. LÄS MER

  5. 5. Solide Molydbenum(II) Chloride Cluster compounds From a Hudrogen Bonding Poin of View

    Författare :Andreas Flemström; Sven Lidin; Åke Oskarsson; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molybdenum Cluster Hydrogen network; Inorganic chemistry; Oorganisk kemi;

    Sammanfattning : This thesis is based on a study of solid Molybdenum(II) chloride cluster compounds. The emphasis of the text is on the hydrogen network in the different compounds. The main analysis tool has been single crystal x-ray diffraction, and in some cases theoretical calculations have been performed to confirm the hydrogen positions. LÄS MER