Search for dissertations about: "Simulations Isotropic in Magnetic"

Found 3 swedish dissertations containing the words Simulations Isotropic in Magnetic.

  2. 1. Theoretical Studies on Magnetic and Photochemical Properties of Organic Molecules

    Author : Xing Chen; Olav Vahtras; Zilvinas Rinkevicius; Ian Carmichael; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : The present thesis is concerned with the theoretical studies on magnetic and photochemical properties of organic molecules. The ab initio and first principles theories were employed to investigate the vibrational effects on the isotropic hyperfine coupling constant (HFCC) known as the critical parameter in electron paramagnetic resonance spectrum, the theoretical simulations of the vibronically resolved molecular spectra, the photo-induced reaction mechanism of α-santonin and the spin-forbidden reaction of triplet-state dioxygen with cofactor-free enzyme. READ MORE

  4. 2. Particle interactions at the nanoscale : From colloidal processing to self-assembled arrays

    Author : Bertrand Faure; Lennart Bergström; Albert Philipse; Stockholms universitet; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Colloidal processing; nanoparticles; colloidal forces; titania; iron oxide; Hamaker constant; surface modification; rheology; Monte Carlo simulations; collective properties; superparamagnetism; finite-size effects; Materials Chemistry; materialkemi;

    Abstract : Nanostructured materials are the next generation of high-performance materials, harnessing the novel properties of their nanosized constituents. The controlled assembly of nanosized particles and the design of the optimal nanostructure require a detailed understanding of particle interactions and robust methods to tune them. READ MORE

  5. 3. Rotor dynamical modelling and analysis of hydropower units

    Author : Rolf Gustavsson; Luleå tekniska universitet; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Computer Aided Design; Datorstödd maskinkonstruktion;

    Abstract : In almost all production of electricity the rotating machines serves as an important part of the energy transformation system. In hydropower units, a hydraulic turbine connected to a generator converts the potential energy stored in the water reservoir into electrical energy in the generator. READ MORE