Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 8 of 8 for “"Atomic distances"”.
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Improved Constrained Global Optimization for Estimating Molecular Structure From Atomic Distances
… to as GNOMAD, which complements a simple interatomic distance potential with van der Waals (VDW) constraints to provide better quality protein structures. However, the improvement in more detailed structural features such as shape and chirality requires the integration of additional constraint …
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A High Energy X-Ray Diffraction Investigation Of Sodium Phosphate Glasses Doped With Less Than 5 Mol% Praseodymium Oxides
… diffraction technique was used to study the atomic-scale structure of the rare-earth doped sodium phosphate glass samples. Structural features such as inter-atomic distances, coordination numbers and their dependence on the concentration of the rare earth oxides were gained from analyzing …
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Oxyanion Adsorption by Iron and Ruthenium Oxides: A Macroscopic, Spectroscopic, and Kinetic Investigation
… Cr shell indicated two oxygen backscattering distances similar to the Cr-O atomic distances reported for coordinated to Cr(VI) and Cr(III) providing additional evidence for Cr(VI) reduction.
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The Bogoliubov equations and their application to a normal-superconducting boundary
… and assuming all quantities to vary slowly over atomic distances, but permitting appreciable variations over the Ginzburg-Landau coherence distance, the theory of the normal-superconducting boundary is worked out to lowest approximation. Some typical numerical results for the eigenfunctions are …
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High-resolution high-frequency dynamic nuclear polarization for biomolecular solid state NMR
… is also leveraged to measure inter-atomic distances in the active site of a membrane protein with sub-angstrom precision. Chapters 7 describes the calculation of the microwave field strength across the sample in a MAS DNP probe and introduces strategies to increase it. Finally …
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An investigation into the role of hydrogen embrittlement in the formation of split bodies in two-piece food cans
… the metal it would cause some distortion in the atomic distances between the atomic planes in Fe atoms and can be measured using XRD.Another effect of hydrogen embrittlement is to reduce the strength in the metal. Tensile tests were performed to measure the strengths of the metal.
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Understanding the Effects of Higher-Order Assembly on the Structure of Sulfite Reductase
… information about the radius of gyration, inter atomic distances between the particles, shape and size of the protein sample and also gives an approximate idea about the molecular weight of the sample. Chapter 3 includes the structural characterization of the SiR complex. SANS, neutron contrast …
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Structure and function studies of polar mutants of the QA pocket in the bacterial photosynthetic reaction center of Rhodobacter sphaeroides
… shorter than Xray-avg (the average of all atomic distances from currently deposited RC X-ray structures with resolution better than 2.80 Å) while only the H-bond to the C4 carbonyl of QA from M265IT was significantly shorter. The Ile at M265 was also mutated to the polar amide mutants Asn …