Search for dissertations about: "coordination mechanism"

Showing result 1 - 5 of 100 swedish dissertations containing the words coordination mechanism.

  2. 1. 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

  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. 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

  6. 4. Using Molecular Dynamics Simulations to Explore Critical Property Relationships in Polymer Electrolytes : Polarity, Coordination, Ionic transport, Ion-pairing, and Ion-ion Correlations

    Author : Harish Gudla; Daniel Brandell; Chao Zhang; Andreas Heuer; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Solid polymer electrolytes; molecular dynamics simulations; solvent polarity; ion-pairing; ion coordination; ion transport mechanisms; Kemi med inriktning mot materialkemi; Chemistry with specialization in Materials Chemistry; Kemi med inriktning mot materialkemi; Chemistry with specialization in Materials Chemistry;

    Abstract : While ion transport in solid polymer electrolytes (SPEs) has been explored for decades, there still remains controversies about its fundamental properties, often correlated with gaps between experimental and computational studies. Using molecular dynamics simulations to understand the complex transport mechanisms and also to fill these gaps is the main goal of this thesis. READ MORE

  7. 5. Social and Economic Factors in Decision Making under Uncertainty : Five Essays in Behavioral Economics

    Author : Kinga Posadzy; Peter Martinsson; Gustav Tinghög; Pablo Brañas Garza; Linköpings universitet; []
    Keywords : SAMHÄLLSVETENSKAP; SOCIAL SCIENCES; behavioral economics; experimental economics; social factors; coordination; competition; deciding for others; mental accounting;

    Abstract : The objective of this thesis is to improve the understanding of human behavior that goes beyond monetary rewards. In particular, it investigates social influences in individual’s decision making in situations that involve coordination, competition, and deciding for others. Further, it compares how monetary and social outcomes are perceived. READ MORE