Search for dissertations about: "reaction mechanism"

Showing result 1 - 5 of 695 swedish dissertations containing the words reaction mechanism.

  2. 1. Electrochemical Investigation of the Reaction Mechanism in Lithium-Oxygen Batteries

    Author : Jonas Lindberg; Göran Lindbergh; Ann M. Cornell; Bryan McCloskey; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Lithium-Oxygen Batteries; Lithium Mass Transport; Oxygen Solubility; Reaction Rate Law; Reaction Mechanism; Electrode Passivation; Ultramicroelectrodes; Electrochemical Quartz Crystal Microbalance; EQCM; Chemical Engineering; Kemiteknik;

    Abstract : Lithium-oxygen batteries, also known as Lithium-air batteries, could possibly revolutionize energy storage as we know. By letting lithium react with ambient oxygen gas very large theoretical energy densities are possible. READ MORE

  4. 2. Reaction mechanism of metalloenzymes studied by theoretical methods

    Author : Geng Dong; Beräkningskemi; []
    Keywords : Metalloenzymes; Reaction mechanism; QM MM; DFT; DMRG; CAS-srDFT; Big-QM; QTCP;

    Abstract : Metalloenzymes catalyse a wide variety of reactions in nature. In the thesis, I have studied the reaction mechanism of three metalloenzymes, viz. READ MORE

  5. 3. Isotopes as Mechanism Spies : Nucleophilic Bimolecular Substitution and Monoamine Oxidase B Catalysed Amine Oxidation Probed with Heavy Atom Kinetic Isotope Effects

    Author : Susanna MacMillar; Olle Matsson; Anita Hussénius; Daniel M. Quinn; Uppsala universitet; []
    Keywords : Organic chemistry; nucleophilic bimolecular substitution SN2; kinetic isotope effects; precision conductometry; monoamine oxidase B MAO B; reaction mechanism; carbon 11C 14C kinetic isotope effect; ion pairing triple-ion formation; para-substituted benzyl chlorides; tetrabytylammonium cyanide; Organisk kemi;

    Abstract : This thesis concerns the study of reaction mechanisms by means of kinetic isotope effects (KIEs). Studies of the nucleophilic bimolecular substitution (SN2) reaction had the dual purpose of improving our fundamental understanding of molecular reactivity and assessing the ability of kinetic isotope effects to serve as mechanistic tools. READ MORE

  6. 4. Formation and Decomposition of Platinum–Thallium Bond, Kinetics and Mechanism. Structural Characterization of Some Metal Cyanides in the Solid State

    Author : Péter Nagy; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; metal–metal bond; platinum; thallium; kinetics; mechanism; stopped flow; oxidative addition; cyano complexes; edta; redox reaction; metal cyanides; X–ray diffraction; Raman; NMR; mercury; palladium; nickel; one dimensional wire;

    Abstract : The kinetic and mechanistic features of a new series ofplatinum-thallium cyano compounds containing a direct andunsupported by ligands metal-metal bond have been studied insolution, using standard mix–and–measurespectrophotometric technique and stopped–flow method.These reactions are interpreted as oxidative addition of the cspecies to the square planar Pt(CN)42-complex. READ MORE

  7. 5. Quantum Chemical Studies of Enzymatic Reaction Mechanisms

    Author : Bianca Manta; Fahmi Himo; Lubomir Rulisek; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; density functional theory; B3LYP; enzyme; cluster approach; mechanism; zinc; manganese; cytosine deaminase; ω-transaminase; dinitrogenase reductase-activating glycohydrolase; dual substrate recognition; organisk kemi; Organic Chemistry;

    Abstract : Computer modeling of enzymes is a valuable complement to experiments. Quantum chemical studies of enzymatic reactions can provide a detailed description of the reaction mechanism and elucidate the roles of various residues in the active site. READ MORE