Search for dissertations about: "systems chemistry"

Showing result 1 - 5 of 1241 swedish dissertations containing the words systems chemistry.

  2. 1. Partial methane oxidation from electronic structure calculations

    Author : Adam Arvidsson; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; ZSM-5 zeolite; density functional theory; microkinetic modelling; Mo6S8 cluster; partial methane oxidation;

    Abstract : Investigating catalytic reactions with computational methods is a powerful approach to understand fundamental aspects of catalytic reactions and find ways to guide catalytic design. Partial methane oxidation is one example of a reaction with intriguing challenges, where a detailed atomistic approach may help to unravel the bottlenecks of this, as of yet, inefficient reaction. READ MORE

  4. 2. Responsive Molecular Systems through Dynamic Covalent Chemistry

    Author : Antanas Karalius; Zoltan Szabo; Stefan Matile; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; stimuli-responsiveness; dynamic covalent reactions; systems chemistry; constitutional dynamics; non-equilibrium systems; nitroaldol reaction; dynamers; reversible polymerization; boronate ester; imine ligand; metal coordination; self–assembly; emergent properties; network topology.; stimuli-responsivitet; dynamiska kovalenta reaktioner; systemkemi; konstitutionell dynamik; icke-jämviktssystem; nitroaldolreaktion; dynamerer; reversibel polymerisation; boronester; iminligand; metallkoordination; själv-organisation; emergenta egenskaper; nätverkstopologi.; Kemi; Chemistry;

    Abstract : Nature tends to inspire research in chemistry. Systems that emerge from molecules interacting via reaction networks is something that life has mastered over the course of evolution in order to produce complexity. Dynamic reactions are key in systems chemistry, where reaction networks give rise to complex, emergent behavior. READ MORE

  5. 3. Dynamic Sulfur Chemistry : Screening, Evaluation and Catalysis

    Author : Rémi Caraballo; Olof Ramström; Nicolas Giuseppone; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Dynamic combinatorial chemistry; dynamic sulfur chemistry; thioglycoside; mutarotation; disulfide metathesis; hemithioacetal formation; 1H STD-NMR; inhibition; phosphine; Concanavalin A; beta-galactosidase; dynamic drug discovery.; Chemistry; Kemi; Organic chemistry; Organisk kemi; Bioorganic chemistry; Bioorganisk kemi;

    Abstract : This thesis deals with the design, formation and evaluation of dynamic systems constructed by means of sulfur-containing reversible reactions, in organic and aqueous media and under mild conditions. In a first part, the synthesis of thioglycoside derivatives, constituting the biologically relevant starting components of the dynamic systems, is described. READ MORE

  6. 4. Reactions of aqueous radiolysis products with oxide surfaces : An experimental and DFT study

    Author : Cláudio Miguel Lousada Patrício; Mats Jonsson; Jean-Philippe Renault; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; hydrogen peroxide; hydrogen production; metal; oxides; lanthanide; catalysis; density functional theory; surface; reactions; chemistry; SRA - Energy; SRA - Energi; SRA - Production; SRA - Produktion;

    Abstract : The reactions between aqueous radiolysis products and oxide surfaces are important in nuclear technology in many ways. In solid-liquid systems, they affect (and at the same time are dependent on) both the solution chemistry and the stability of materials under the influence of ionizing radiation. READ MORE

  7. 5. Novel electrode and photoelectrode materials for hydrogen production based on molecular catalysts

    Author : Andrew J. Bagnall; Leif Hammarström; Vincent Artero; Sascha Ott; Alexander Cowan; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; electrochemical mechanism; hydrogen; artificial photosynthesis; molecular catalyst; hydrogen evolution; cobalt; Kemi; Chemistry;

    Abstract : The PhD project focussed on the application of a cobalt tetraazamacrocyclic complex, in the literature commonly referred to as [Co(CR)Cl2]+ as a molecular catalyst for the hydrogen evolution reaction (HER). This was within the broader scope of the EU MSCA H2020 ITN ‘eSCALED’ project, which primarily aimed to create artificial leaf devices for the storage of solar energy in chemical fuels and, as part of this, sought the development of novel bio-inspired and scalable materials. READ MORE