Essays about: "Teoretisk kemi"

Showing result 16 - 20 of 25 essays containing the words Teoretisk kemi.

  1. 16. Development of a multiscale modeling environment for parameterization of ReaxFF using SCC-DFTB and its application to ZnO structures

    University essay from Uppsala universitet/Teoretisk kemi

    Author : Ali Rafieefar; [2014]
    Keywords : ;

    Abstract : .... READ MORE

  3. 17. Theoretical investigation of thehydrogen-generating mechanism of Co[(py)(bpy)Cl2]

    University essay from Uppsala universitet/Teoretisk kemi

    Author : Sofia Kiriakidou; [2014]
    Keywords : DFT; cobalt coordination compound; theoretical; inorganic; computaional; hydrogen generating;

    Abstract : .... READ MORE

  4. 18. Decoherence-assisted transport in pigment protein complexes

    University essay from Uppsala universitet/Teoretisk kemi

    Author : Adrià Sonet Ventosa; [2014]
    Keywords : Entanglement; concurrence; nonlocality; electronic energy transfer; FMO complex; light-harvesting complex.;

    Abstract : Two chlorophylls of the FMO complex, the light-harvesting complex of the green sulfur bacteria, are modeled as two coupled qubits, each surrounded by one spin-bath simulating the environment. The dynamics of the system at a non-zero temperature provide exact analytical expressions for the transition probability and the coherence. READ MORE

  5. 19. Finding a path through a crystal. Theoretical modelling of ionic conductivity.

    University essay from Lunds universitet/Kemiska institutionen

    Author : Fredrik Ericson; [2013]
    Keywords : teoretisk kemi; Chemistry;

    Abstract : Ionic conductors have seen increased use over time. These are found in ion detectors, gas detectors and supercapacitors but finds special use in fuel cells and solar cells. Some ionic conductors are not only used as a conductor, but finds uses as insulators, ceramic blades or even as a diamond simulant. READ MORE

  6. 20. Nonlocality in biomolecular systems

    University essay from Teoretisk kemi

    Author : Charlotta Bengtson; [2013]
    Keywords : ;

    Abstract : .... READ MORE