Sökning: "crystal structure"

Visar resultat 1 - 5 av 832 avhandlingar innehållade orden crystal structure.

  1. 1. Quantum Chemical Interpretation of Protein Crystal Structure

    Författare :Kristina Nilsson; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; structure; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi; protein; ComQum-X; Hess2FF; QM MM; hetero-compound; metal; oxidation state; protonation; force field; quantum refinement; refinement;

    Sammanfattning : An initial model in the crystallographic structure determination process, usually contains many errors. To produce an accurate model, one must carry out several cycles of crystallographic refinement. LÄS MER

  3. 2. Structure-Magnetic Relationships in the Fe-Mn-P-Si System for Energy Applications

    Författare :Viktor Höglin; Yvonne Andersson; Per Nordblad; Martin Sahlberg; Mogens Christensen; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Magnetocaloric; X-ray powder diffraction; Neutron powder diffraction; Magnetization measurements; Phase diagram; Crystal structure; Magnetic structure; Incommensurate structure; Ferromagnetic; Antiferromagnetic; Fe2P; Fe-Mn-P-Si.; Kemi med inriktning mot oorganisk kemi; Chemistry with specialization in Inorganic Chemistry;

    Sammanfattning : Demands for new, energy-efficient appliances have greatly increased in response to our growing need for a more environmentally friendly society. Magnetic refrigeration is a technique that utilizes the magnetocaloric effect, with possible energy savings of up to 30% compared to commercial gas compression refrigerators. LÄS MER

  4. 3. Open-Framework Germanates : Synthesis, Structure, and Characterization

    Författare :Andrew Kentaro Inge; Xiaodong Zou; Anthony Cheetham; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Open-framework; zeolites; germanates; porous materials; crystallography; hydrothermal synthesis; crystal structure; Structural Chemistry; strukturkemi;

    Sammanfattning : Novel open-framework germanates and open low-dimensional structures were synthesized and characterized. Their crystal structures were solved by single crystal X-ray diffraction or X-ray powder diffraction combined with other techniques. LÄS MER

  5. 4. Magnetic ordering and crystal structure in selected transition- metal compounds

    Författare :Hui-Ping Liu; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemistry; transition-metal compounds; magnetic ordering; crystal structure; magneticstructure; neutron diffraction; Kemi; Chemistry; Kemi; Inorganic Chemistry; oorganisk kemi;

    Sammanfattning : Applications of magnetic materials are inherently related to their crystal, magnetic and electronic structures. In this thesis, experimental and theoretical methods have been focused on magnetic bulk materials from novel chemical synthesis, to X-ray diffraction for initial phase characterisation, and crystal and magnetic structure studies to explain their complex magnetic properties. LÄS MER

  7. 5. Single-crystal Mo/V superlattices : growth, structure, and hydrogen uptake

    Författare :Jens Birch; Jan-Erik Sundgren; Bruce M Clemens; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : Fundamental studies concerning the growth, structural characterization and hydrogen uptake of single-crystal (00 l )-oriented Mo/V superlattices have been performed. The superlattices were grown by dual-target magnetron sputtering in pure Ar-atmosphere < 6·10-3 Torr on (001)-oriented MgO substrates. LÄS MER