Search for dissertations about: "intermolecular"

Showing result 1 - 5 of 142 swedish dissertations containing the word intermolecular.

  1. 1. An Infrared Study of Intermolecular Interactions in Gaseous Hydrogen Bonded Molecular Complexes

    Author : René Wugt Larsen; Lunds universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; intermolecular potential energy surface; Physical chemistry; Fysikalisk kemi; synchrotron radiation; infrared absorption spectroscopy; intermolecular vibration; molecular complex; Intermolecular interactions; hydrogen bond;

    Abstract : Intermolecular interactions are responsible for the deviations of gases from ideality, determine the three- dimensional structure and folding dynamics of biological molecules, and the binding of molecules to surfaces as in heterogeneous catalysis. The hydrogen bond is the most important intermolecular interaction. READ MORE

  2. 2. Intermolecular interactions in hydrogen bonded 1:1 molecular complexes. A matrix isolation study

    Author : Anders Engdahl; Biokemi och Strukturbiologi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; infrared laser irradiation; dimethyl ether; water dimer; hydrogen chloride; formamide; acetone; formic acid; ammonia; water; intermolecular; matrix isolation; FIR; FTIR; infrared; isomerisation; ab initio; Physical chemistry; Fysikalisk kemi;

    Abstract : A number of matrix isolated binary hydrogen bonded complexes with water as one of the components have been investigated with FTIR in the mid and far infrared regions. Water has been found to be the hydrogen bond donor in complexes with water, ammonia, dimethyl ether and acetone. READ MORE

  3. 3. Intermolecular interactions in liquids : a nuclear spin relaxation and computer simulation study

    Author : Arnold Maliniak; Stockholms universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP;

    Abstract : .... READ MORE

  4. 4. First-principles calculations of long-range intermolecular dispersion forces

    Author : Auayporn Jiemchooroj; Bo E. Sernelius; Irina Yakimenko; Linköpings universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; van der Waals forces; dispersion forces; intermolecular interactions; dispersion coefficients; polarizability; Physics; Fysik;

    Abstract : This work presents first-principles calculations of long-range intermolecular dispersion energies between two atoms or molecules as expressed in terms of the C6 dipole-dipole dispersion coefficients. In a series of publications, it has been shown by us that the complex linear polarization propagator method provides accurate ab initio and first-principles density functional theory values of the C6 dispersion coefficients in comparison with those reported in the literature. READ MORE

  5. 5. Molecular dynamics simulations of intermolecular mechanisms in nuclear spin relaxation

    Author : Michael Odelius; Stockholms universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES; Atomfysik; Molekylfysik; Fysikalisk kemi;

    Abstract : .... READ MORE