Sökning: "X-ray crystal structure determination"

Visar resultat 1 - 5 av 46 avhandlingar innehållade orden X-ray crystal structure determination.

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

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

   Sammanfattning : 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. LÄS MER

3. 2. Simulations of ultrafast photon-matter interactions for molecular imaging with X-ray lasers

   Författare :Ibrahim Eliah Dawod; Nicusor Timneanu; Carl Caleman; Adrian P. Mancuso; Lars Schäfer; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; X-ray free-electron laser; molecular dynamics; radiation damage; plasma simulations; density functional theory¸ coherent diffractive imaging; protein structure; X-ray crystallography; single particle imaging;

   Sammanfattning : Biological structure determination has had new avenues of investigation opened due to the introduction of X-ray free-electron lasers (XFELs). These X-ray lasers provide an extreme amount of photons on ultrafast timescales used to probe matter, and in particular biomolecules. LÄS MER

4. 3. Generation and Applications of Short-Pulse X-ray Radiation

   Författare :Michael Harbst; Atomfysik; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; egenskaper termiska och mekaniska ; Kondenserade materiens egenskaper:struktur; crystallography; phase equilibria; Material science; Condensed matter:stucture; thermal and mechanical properties; time-resolved; X-ray diffraction; kristallografi; fasjämvikt; Material technology; Materiallära; materialteknik;

   Sammanfattning : This thesis summarizes work using hard X-ray radiation on nanosecond and picosecond timescales. The focus is on the experimental part including detailed descriptions of setups for laser pumped - X-ray probe experiments. X-ray diffraction is sensitive to structural properties on the length scale of chemical bonds. LÄS MER

5. 4. Design of new materials with crystal structure-related properties : The role of lone pair cations

   Författare :Eleni Mitoudi Vagourdi; Mats Johnsson; Vadim Kessler; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Crystal structure determination; New oxohalide compounds; Lone-pair electrons; X-ray diffraction; Physical properties; Inorganic Chemistry; oorganisk kemi;

   Sammanfattning : Non-centrosymmetry and low-dimensional arrangements, e.g. chains or layers, are very attractive structural characteristics of crystalline compounds since they are linked to some physical properties including nonlinear optical activity, ferroelectricity and magnetic frustration. LÄS MER

7. 5. Open-framework Structures Built by Inorganic Clusters : Synthesis and Characterization

   Författare :Hong Chen; Junliang Sun; Xiaodong Zou; Thomas E Albrecht-Schmitt; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Open-framework; germanates; vanadoborates; aluminoborates; germanosilicates; crystal structure; hydrothermal synthesis; crystal X-ray diffraction; rotation electron diffraction; powder X-ray diffraction; Inorganic Chemistry; oorganisk kemi;

   Sammanfattning : Novel open-framework germanates and vanadoborates, which are constructed from typical types of clusters, have been synthesized based on different strategies. The crystal structures are solved by using single crystal X-ray diffraction (SXRD) technique or by combined techniques. LÄS MER