Search for dissertations about: "Crystal structure determination"

Showing result 1 - 5 of 76 swedish dissertations containing the words Crystal structure determination.

  2. 1. Structure Determination and Prediction of Zeolites : A Combined Study by Electron Diffraction, Powder X-Ray Diffraction and Database Mining

    Author : Peng Guo; Xiaodong Zou; Christine Kirschhock; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; zeolites; rotation electron diffraction; structure determination; structure prediction; strong reflections approach; Inorganic Chemistry; oorganisk kemi;

    Abstract : Zeolites are crystalline microporous aluminosilicates with well-defined cavities or channels of molecular dimensions. They are widely used for applications such as gas adsorption, gas storage, ion exchange and catalysis. The size of the pore opening allows zeolites to be categorized into small, medium, large and extra-large pore zeolites. READ MORE

  4. 2. Characterization of crystalline materials by rotation electron diffraction : Phase identification and structure determination

    Author : Yifeng Yun; Xiaodong Zou; Christian W. Lehmann; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; electron microscopy; phase identification; rotation electron diffraction; structure determination; three-dimensional electron diffraction; Inorganic Chemistry; oorganisk kemi;

    Abstract : Electron crystallography is powerful for determination of complex structures. The newly-developed 3D electron diffraction (ED) methods make structure determination from nano- and micron-sized crystals much easier than using other methods, for example X-ray diffraction. READ MORE

  5. 3. Quantum Chemical Interpretation of Protein Crystal Structure

    Author : Kristina Nilsson; Beräkningskemi; []
    Keywords : 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;

    Abstract : 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. READ MORE

  6. 4. Push the limitations of crystal structure determination by 3D electron diffraction : From inorganic porous materials to biomolecules

    Author : Jingjing Zhao; Xiaodong Zou; Hongyi Xu; Tim Grüne; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; electron crystallography; 3D electron diffraction; cryo-EM specimen preparation; structure determination; porous materials; biomolecules; fysikalisk kemi; Physical Chemistry;

    Abstract : Structure elucidation is fundamental to understanding the chemical and physical properties of a material. Three-dimensional electron diffraction (3D ED) has shown great power for structure determination of nanometer- or submicrometer-sized crystals that are either too small or too complex for X-ray diffraction. READ MORE

  7. 5. Open-Framework Germanates : Synthesis, Structure, and Characterization

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

    Abstract : 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. READ MORE