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Showing 1 to 12 of 12 for “"line-shape analysis"”.
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Electron paramagnetic resonance analysis of dimethyl amidogen in polycrystalline tetramethyl tetrazene.
… at liquid nitrogen temperatures. For the analysis of the electron paramagnetic resonance spectrum the species has been identified as the free radical dimethyl amidogen. The hyperfine coupling tensors were assigned on the basis of a polycrystalline line shape analysis. The radical exhibits …
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Dynamic and kinetic investigations of SEM-5/SOS peptide interactions
… NMR methodologies including order parameter and line-shape analysis are applied to observe the correlation of protein dynamics with its function, taking into consideration several thermodynamic and kinetic aspects of the structural changes involved.\r\n\r\n
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X-ray study of the stacking fault density near the hardness maximum of the Au-Ag-Pd system
… of a peak at various heights above background. Line shape analysis has been performed for one specimen, with the result that the deformation fault density thus obtained agrees well with that obtained from the lattice parameter measurements, and a twin fault density of 0.0045 was measured.
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Near surface wear structure of ceramic components
… (2) peak separation, (3) quantitative phase analysis, (4) intensity band simulation, and (5) line shape analysis, were applied to ceramic materials of silicon nitride, zirconia toughened alumina, fully and partially stabilized zirconia. A theoretical derivation of the x-ray intensity from a …
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Investigation of Slow Dynamics in Proteins: NMR Pulse Sequence Development and Application in Triosephosphate Isomerase
… detection methods: 2D-exchange experiments and line-shape analysis, using the example of in crystalline L-phenylalanine hydrochloride. The millisecond ring flip motion of the aromatic ring in L-phenylalanine hydrochloride is characterized in detail for the first time. The comparison between …
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Coherent two-dimensional infrared spectroscopy : a study of coupled vibrations
… (2D) infrared (IR) spectroscopy, outlines how third-order nonlinear response of a multi-level vibrational system is calculated, and provides a detailed methodology of line shape analysis in 2D spectroscopy. Specific emphasis is given to inherent sensitivity of 2D spectroscopy to …
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High-pressure NMR studies of isomerizational exchange rates in liquids
… of exchange were determined using, the total line shape analysis method in chapters two and three, peak areas and saturation transfer in chapter four, and rotating frame spin lattice relaxation measurements in chapter five. Chapter six details some properties of high pressure high resolution …
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Photoemission studies of noble metal semiconductor systems
… surfaces are deduced with the aid of core-level line shape analysis. The results agree with recent STM topographs. Valence-band density-of-states spectra show the familiar bulk and surface-derived features. A study is made of the initial stages of Au and Ag adsorption upon these surfaces. …
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Insight into the Local Solvent Environment of Biologically Relevant Iron-nitroysl Systems through Two-Dimensional Infrared Spectroscopy
… the more complicated metalloproteins. Rigorous line shape analysis is performed by using nonlinear response theory to simulate 2D IR spectra which are then fit to experimental data in an iterative process to extract frequency-frequency correlation functions (FFCFs). The time scales obtained are …
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Anomalous diffusion in anisotropic media
… diffusion NMR and complementary deuterium line shape analysis. Restricted diffusion was studied in two lyotropic lamellar systems, the first consisting of crosslinked flat lamellae in anisotropic hydrogels and the second consisting of spherically bent lamellae in multilamellar vesicles. In …
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Secondary relaxation processes in neat and binary glass formers studied by 2H NMR spectroscopy
… The first part is devoted to the plastic crystalline (PC) phase of cyanocyclohexane. A 2D 2H NMR assessment regarding the alpha-process demonstrated that dynamics is not governed by the symmetry of the lattice, rather molecular reorientation in cyanocyclohexane can be modelled via the same …
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Investigations of the Band Structure and Morphology of Nanostructured Surfaces
… graphene at nanometer length scales. Diffraction line-shape analysis reveals quantitative differences in surface roughness on length scales below 20 nm which depend on film thickness and interaction with the substrate. Corrugation decreases with increasing film thickness, reflecting the increased …