Search for dissertations about: "molecular reactions"

Showing result 1 - 5 of 605 swedish dissertations containing the words molecular reactions.

  2. 1. Molecular reactions : a study of electronic and collision aspects of exchange molecular reactions, with applications to the hydrogen atom-hydrogen molecule systems

    Author : David Allan Micha; Uppsala universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP;

    Abstract : .... READ MORE

  4. 2. Molecular Hole Punching : Impulse Driven Reactions in Molecules and Molecular Clusters

    Author : Michael Gatchell; Henning Zettergren; Henrik Cederquist; Henning Schmidt; Joachim Burgdörfer; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; PAHs; Fullernes; Reactions; Clusters; Interstellar Medium; Fragmentation; Non-Statistical Fragmentation; Collisions; Experiments; Molecular Dynamics; Density Functional Theory; fysik; Physics;

    Abstract : When molecules are excited by photons or energetic particles, they will cool through the emission of photons, electrons, or by fragmenting. Such processes are often thermal as they occur after the excitation energy has been redistributed across all degrees-of-freedom in the system. READ MORE

  5. 3. Microwave radiation and electron capture in molecular reactions

    Author : Shirzad Kalhori; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Microwave radiation; electron capture; molecular reactions;

    Abstract : .... READ MORE

  6. 4. Ligand binding and enzyme catalysis studied by molecular dynamics simulations

    Author : Tomas Hansson; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Molecular biology; molecular dynamics simulation; free energy; linear response; drug design; empirical valence bond; HIV protease; protein tyrosine phosphatase; Molekylärbiologi; Molecular biology; Molekylärbiologi; molekylärbiologi; Molecular Biology;

    Abstract : Molecular dynamics simulations and free energy calculations can be applied to biomolecular systems to predict ligand binding affinities. Combined with hybrid quantum-classical potential energy surfaces, such computations can also be used to probe enzymatic catalysis mechanisms. READ MORE

  7. 5. Biomimetic Reactions : Water Oxidation and Aerobic Oxidation

    Author : Lien-Hoa Tran; Björn Åkermark; Nina Kann; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Cobalt II salophen; oxygen-activating catalyst; hybrid; manganese complex; epoxidation; water oxidation.; Organic chemistry; Organisk kemi; organisk kemi; Organic Chemistry;

    Abstract : This thesis deals mainly with two oxidation reactions: water oxidation and aerobic oxidation, both of which have been applied in a biomimetic fashion. In the former reaction molecular oxygen is generated whereas in the latter it was used as terminal oxidant in oxidation reactions. READ MORE