Search for dissertations about: "physical modeling"
Showing result 1 - 5 of 682 swedish dissertations containing the words physical modeling.
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1. Microkinetic Modeling of Nanoparticle Catalysis using Density Functional Theory
University dissertation from Gothenburg : Chalmers tekniska högskolaAbstract : Heterogeneous catalysis is vitally important to modern society, and one path towardsrational catalyst design is through atomistic scale understanding. The atomistic scalecan be linked to macroscopic observables by microkinetic models based on first-principlescalculations. READ MORE
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2. Modeling DNA Damage
University dissertation from Stockholm : Institutionen för fysikalisk kemi, oorganisk kemi och strukturkemiAbstract : In this thesis methods of computational chemistry have been used to examine DNA damaging processes initiated by ionizing radiation, free radicals, or Low-Energy Electrons (LEE).The computational chemistry method based on quantum mechanics that has been mainly used here is the Density Functional Theory (DFT). READ MORE
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3. Elements of modeling nanoparticle growth: Surface thermodynamics and dispersive interactions
University dissertation from Gothenburg : Chalmers tekniska högskolaAbstract : Metal nanoparticles have in recent decades been the subject of intense research owing to their wide range of size and shape-dependent properties, which makes them interesting candidates for a variety of applications. Gold nanorods represent a particularly intriguing type of particle due to their tunable plasmonic properties. READ MORE
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4. Structure and chemical ordering in metallic nanoparticles from atomic scale modeling
University dissertation from Gothenburg : Chalmers tekniska högskolaAbstract : In the last decades, a wide range of attractive properties have put metallic nanoparticles in the spotlight. These properties, often related to optical response and catalytic performance, are to a large extent dependent on structure and chemical ordering, that is, the distribution of elements in the nanoparticle. READ MORE
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5. Computer Modeling of HCCI Combustion
University dissertation from Gothenburg : Chalmers tekniska högskolaAbstract : During the last decade an alternative to conventional internal combustion engines, i.e. spark-ignited and Diesel engines, has been under investigation by an ever-increasing number of research groups. READ MORE
