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 20 of 1039 for “"Crystal Structure"”.
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Symmetry in Crystal Structure Prediction
… providing chemical accuracy, have made in silico crystal structure prediction (CSP) a reality. Armed with this powerful technique, it is now possible to explore the energy landscapes of unknown systems and predict stable phases with confidence. Having determined the structure of a material, many …
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The crystal structure of rhodizite.
Massachusetts Institute of Technology. Dept. of Geology and Geophysics. Thesis. 1966. M.S.
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The crystal structure of nepheline
Thesis. (M.S.) Massachusetts Institute of Technology. Dept. of Geology, 1947.
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The crystal structure of darapskite.
Thesis (M.S.)--Massachusetts Institute of Technology, Dept. of Geology and Geophysics, 1968.
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The crystal structure of diglycine hydrobromide
Thesis. (M.S.) Massachusetts Institute of Technology. Dept. of Geology, 1947.
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Crystal structure prediction for rechargeable battery anodes
This thesis presents results of high-throughput crystal structure prediction calculations to predict the compositional phase diagrams of material systems that have relevance as conversion anodes in sodium- and potassium-ion batteries. The aim is to discover phase diagrams that can balance high …
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Crystal structure of paired domain--DNA complex
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Electrical Engineering and Computer Science, 1995.
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The crystal structure of cholesterol helical ribbons
… angle of the ribbons may be due to an underlying crystal structure. In order to determine the crystal structure, I undertook x-ray scattering studies of individual helical ribbons taken from two particular solutions: Chemically Defined Lipid Solution and model bile. Using a synchrotron x-ray …
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Crystal structure of a human U5 snRNP specific binary complex and crystal structure of a histone deacetylase-like bacterial amidohydrolase
Die Kristallstruktur der GYF-Domäne von U5-52K im Komplex mit U5-15 wurde bei einer Auflösung von 2,35 Å ermittelt. Das Protein U5-52K (Lin1p) ist sowohl in der Hefe als auch beim Menschen Bestandteil der U5 snRNPs, welche am Spleißen von mRNAs beteiligt sind. Weiterhin spielt U5-52K als CD2 …
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Crystal structure and morphology prediction of organic pigments
Contains fulltext : 75422.pdf (Publisher’s version ) (Open Access)
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The crystal structure of a mutant nitrile hydratase
Nitrile hydratases can be used as industrial biocatalysts. They catalyze the conversion of nitriles to their corresponding amides. These industrial biocatalysts have recently gained attention due to the economic production of industrial commodities such as acrylamide and nicotinamide (Thomas et …
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The crystal structure of narsarsukite, Na₂TioSi₄0₁₀
Thesis (M.S.)--Massachusetts Institute of Technology, Dept. of Geology, 1960.
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The crystal structure of cahnite, Ca₂BAs0₄(OH)₄/
Thesis (M.S.)--Massachusetts Institute of Technology, Dept. of Geology and Geophysics, 1960.
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A machine learning approach to crystal structure prediction
… a machine learning framework for predicting crystal structure and applies it to binary metallic alloys. As computational materials science turns a promising eye towards design, routine encounters with chemistries and compositions lacking experimental information will demand a practical …
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Determining the Crystal Structure of Cellulose III by Modeling
… patterns. The new work challenged a two-chain structure published 25 years earlier, although it did not provide new three-dimensional coordinates. Our goals were to solve the structure by modeling, find whether modeling would reject the previously determined two-chain unit cell, and compare the …
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Crystal Structure and Mechanism of Lysine Specific Demethylase-1
… Lys4 or Lys9 of histone-3. Here, we present the crystal structure of LSD1 at 2.9-A resolution. LSD1 forms a highly asymmetric, closely packed domain structure from which a long helical 'tower' domain protrudes. The active site cavity is spacious enough to accommodate several residues of the …
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Investigating the loss of crystal structure in carbohydrate materials
… signals could not be applied during the loss in crystal structure event, since the modulated heating rate cannot be controlled during the loss of crystal structure. The quasi-isothermal MDSC yielded important information in regards to the reversing heat capacity (Cp) signal. If the reversing Cp …
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