Search for dissertations about: "bond energy"
Showing result 11 - 15 of 230 swedish dissertations containing the words bond energy.
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11. Photon Upconversion through Triplet-Triplet Annihilation: Towards Higher Efficiency and Solid State Applications
Abstract : The sun is the only renewable energy source that can accommodate humanity’s energyneeds today and in the foreseeable future. The sunlight reaching the planet’s surfaceis filtrated through the atmosphere, reducing its UV-light intensity in the 300-400 nmrange, which indeed can be harmful to life as we know it in too large doses. READ MORE
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12. Ligand binding and enzyme catalysis studied by molecular dynamics simulations
Abstract : Molecular dynamics simulations and free energy calculations can be applied to biomolecular systems to predict ligand binding affinities. Combined with hybrid quantum-classical potential energy surfaces, such computations can also be used to probe enzymatic catalysis mechanisms. READ MORE
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13. Structural, Kinetic and Thermodynamic Aspects of the Crystal Polymorphism of Substituted Monocyclic Aromatic Compounds
Abstract : This work concerns the interrelationship between thermodynamic, kinetic and structural aspects of crystal polymorphism. It is both experimental and theoretical, and limited with respect to compounds to substituted monocyclic aromatics. READ MORE
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14. Quantum Nuclear Dynamics in Resonant X-ray Scattering of Gas-Phase and Liquid Systems
Abstract : 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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15. Experimental and Theoretical Studies of Cis-Trans Photoisomerizations and Conditions for Effective Catalysis
Abstract : Triplet-sensitized cis-trans photoisomerizations have been investigated both experimentally and theoretically. Mapping of the reaction path for isomerization of 1,4-bis(1-propenyl)benzene (1) on the triplet state energy surface has been done by quantum yield measurements and laser flash photolysis. READ MORE