Search for dissertations about: "Teoretisk kemi och biologi"
Showing result 1 - 5 of 114 swedish dissertations containing the words Teoretisk kemi och biologi.
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1. Theoretical Studies of Natural Gas Hydrates and H-bonded Clusters and Crystals
University dissertation from Linköping : Linköping University Electronic PressAbstract : In this thesis H-bonded systems (natural gas hydrates, water clusters, and crystal ice) are studied by density functional theory (DFT) computations.Natural gas hydrates (NGHs) play an important role in energy and environmental fields: NGHs are considered as a promising backup energy resource in the near-future due to their tremendous carbon content; improper exploration of NGHs could induce geological disasters and aggravate the greenhouse effect. READ MORE
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2. Exploring Biopolymer-Clay Nanocomposite Materials by Molecular Modelling
University dissertation from Stockholm : KTH Royal Institute of TechnologyAbstract : In this thesis, bio-nanocomposites made from two alternative biopolymers and montmorillonite (Mnt) clay have been investigated by molecular modelling. These biopolymers are xyloglucan (XG) and chitosan (CHS), both of which are abundant, renewable, and cost-effective. READ MORE
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3. Quantum chemical studies of deposition and catalytic surface reactions
University dissertation from Linköping : Linköping University Electronic PressAbstract : Quantum chemical calculations have been used to model chemical reactions in epitaxial growth of silicon carbide by chemical vapor deposition (CVD) processes and to study heterogeneous catalytic reactions for methanol synthesis. CVD is a common method to produce high-quality materials and e.g. READ MORE
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4. Quantum Nuclear Dynamics in Resonant X-ray Scattering of Gas-Phase and Liquid Systems
University dissertation from Stockholm : KTH Royal Institute of TechnologyAbstract : This thesis focuses on the role of the nuclear degrees of freedom in X-ray induced molecular processes. An important part of it is devoted to establishing theoretical principles to model and interpret high-resolution resonant X-ray scattering experiments in gases and liquids. READ MORE
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5. Theoretical Study on Chemical Structures and Stability of Molecules in Metallic Junctions
University dissertation from Stockholm, Sweden : KTH Royal Institute of TechnologyAbstract : In this thesis, we focus on the structural identification of the interface using surface enhanced Raman spectroscopy (SERS) and inelastic electron tunnelling scattering (IETS). Two different molecular junctions, namely gold/ trans-1,2-bis (4-pyridyl) ethylene/gold junction and gold/4,4'-bipyridine/gold junctions in various conditions were studied and the corresponding configurations were determined. READ MORE
