Search for dissertations about: "simple organic chemistry thesis"

Showing result 1 - 5 of 89 swedish dissertations containing the words simple organic chemistry thesis.

  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. Exploring new protic ionic liquids: From synthesis to fundamental properties

    Author : Eduardo Maurina Morais; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; thermal analysis; acidity; transport properties; DFT; Protic ionic liquids;

    Abstract : The ionic liquid community frequently leverages the selling point that more than a million new ionic liquids could conceivably be created. Nonetheless, the number of commercially available compounds is orders of magnitude lower. READ MORE

  5. 3. Green aromatics for a bio-based economy - Valorization of biomass derived model compounds over zeolites studied by online analysis

    Author : Christopher Sauer; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; online analysis; zeolite; biomass conversion; catalysis; 2; 5-dimethylfuran;

    Abstract : In the strive towards sustainable chemical production, its carbon-based products can no longer be produced from fossil resources but need to be manufactured from a renewable feedstock. Simple aromatic building blocks like benzene, toluene and xylenes (BTX) can be obtained by catalytic valorization of biomass derived platform molecules such as furans provided efficient catalysts can be formulated. READ MORE

  6. 4. Catalysis in Dynamic Systems: Control within Molecular Reaction Networks

    Author : Fredrik Schaufelberger; Olof Ramström; Leonard Prins; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; systems chemistry; dynamic covalent chemistry; catalyst screening; reaction networks; organocatalysis; imine exchange; combinatorial chemistry; dynamic systemic resolution; feedback; error-correction; Morita-Baylis-Hillman reaction; C-H activation; H-bond catalysis; transamination; Kemi; Chemistry;

    Abstract : Life as we know it is based on complex networks of biochemical reactions that constantly interact within large dynamic systems. The field of systems chemistry uses chemical models to study how reaction networks – and thereby life – function on a molecular level. READ MORE

  7. 5. Quantum Chemical Modeling of Phosphoesterase Mimics and Chemistry in Confined Spaces

    Author : Henrik Daver; Fahmi Himo; Gregori Ujaque; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; density functional theory; catalysis; phosphoester hydrolysis; transesterification; supramolecular chemistry; inclusion complex; host-guest chemistry; cycloaddition; organisk kemi; Organic Chemistry;

    Abstract : In this thesis, density functional theory is employed in the study of two kinds of systems that can be considered to be biomimetic in their own ways. First, three binuclear metal complexes, synthesized by the group of Prof. Ebbe Nordlander, have been investigated. READ MORE