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Dissertations / Theses on the topic 'Crystal's structure'

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1

Bullard, Theresa Vivian. "Luminescence labeling and dynamics of growth active crystal surface structures /." Thesis, Connect to this title online; UW restricted, 2008. http://hdl.handle.net/1773/9680.

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2

Legge, Coulton Heath. "Structural modifications in liquid crystals and liquid crystal polymers." Thesis, University of Reading, 1992. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.306164.

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3

Schiefer, Stefan. "Crystal structure of fiber structured pentacene thin films." Diss., lmu, 2007. http://nbn-resolving.de/urn:nbn:de:bvb:19-75797.

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4

Levandovsky, Artem. "Structure and dynamics of interfaces in the epitaxial growth and erosion on (110) and (100) crystal surfaces." Morgantown, W. Va. : [West Virginia University Libraries], 2004. https://etd.wvu.edu/etd/controller.jsp?moduleName=documentdata&jsp%5FetdId=3731.

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Thesis (Ph. D.)--West Virginia University, 2004.<br>Title from document title page. Document formatted into pages; contains vii, 129 p. : ill. (some col.). Vita. Includes abstract. Includes bibliographical references.
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5

Cosquer, Guirec Yann. "Liquid crystals with novel terminal chains as ferroelectric liquid crystal hosts." Thesis, University of Hull, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.322457.

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6

Essandoh, Ernest. "Structural studies of organic crystals of pharmaceutical relevance : correlation of crystal structure analysis with recognised non-bonded structural motifs in the organic solid state." Thesis, University of Bradford, 2009. http://hdl.handle.net/10454/4444.

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Pharmaceutical solids tend to exist in different physical forms termed as polymorphs. Issues about pharmaceutical systems are mainly concerned with the active ingredient's physico-chemical stability and bioavailability. The main aim of this study is to investigate the non-bonded interactions in pharmaceutical solids that govern the physical pharmaceutics performance of such materials and through the use of structural techniques and correlation of these results with crystal structural database to establish the presence of physical motifs in selected systems. Structural motifs were identified by
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7

Asmadi, Aldi, M. A. Neumann, John Kendrick, P. Girard, M.-A. Perrin, and Frank J. J. Leusen. "Revisiting the Blind Tests in Crystal Structure Prediction: Accurate Energy Ranking of Molecular Crystals." American Chemical Society, 2009. http://hdl.handle.net/10454/4727.

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no<br>In the 2007 blind test of crystal structure prediction hosted by the Cambridge Crystallographic Data Centre (CCDC), a hybrid DFT/MM method correctly ranked each of the four experimental structures as having the lowest lattice energy of all the crystal structures predicted for each molecule. The work presented here further validates this hybrid method by optimizing the crystal structures (experimental and submitted) of the first three CCDC blind tests held in 1999, 2001, and 2004. Except for the crystal structures of compound IX, all structures were reminimized and ranked according to the
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8

Saito, Kaichi. "Real crystal structure related to superconductor properties of YBa₂Cu₃O₇₋{delta} single crystals /." Zürich, 1997. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=12105.

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9

Walker, Ezekiel Lee. "Electromagnetically Modulated Sonic Structures." Thesis, University of North Texas, 2014. https://digital.library.unt.edu/ark:/67531/metadc799496/.

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Phononic crystals are structures composed of periodically arranged scatterers in a background medium that affect the transmission of elastic waves. They have garnered much interest in recent years for their macro-scale properties that can be modulated by the micro-scale components. The elastic properties of the composite materials, the contrast in the elastic properties of the composite materials, and the material arrangement all directly affect how an elastic wave will behave as it propagates through the sonic structure. The behavior of an elastic wave in a periodic structure is revealed in i
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10

Giri, Sajal Kumar. "Liquid Crystals :structure properties relationship." Thesis, University of North Bengal, 1999. http://hdl.handle.net/123456789/826.

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11

Eng, Hank W. "The crystal and electronic structures of oxides containing d0 transition metals in octahedral coordination." Connect to this title online, 2003. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1070570079.

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Thesis (Ph. D.)--Ohio State University, 2003.<br>Title from first page of PDF file. Document formatted into pages; contains xx, 180 p.; also includes graphics. Includes bibliographical references (p. 139-145).
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12

Abraham, Yonas Beyene. "Optimization with surrogates for electronic-structure calculations /." Electronic thesis, 2004. http://etd.wfu.edu/theses/available/etd-05102004-012537/.

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13

McGrath, Jonathan G. "Synthesis and Characterization of Core/Shell Hydrogel Nanoparticles and Their Application to Colloidal Crystal Optical Materials." Diss., Georgia Institute of Technology, 2007. http://hdl.handle.net/1853/14537.

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This dissertation describes the use of spherical micro- and nanoparticles as building blocks for the fabrication of colloidal crystals. The polymer component used in all of the projects that are described herein is poly-N-isopropylacrylamide (pNIPAm). The polymeric identity of particles composed of this soft, hydrogel material, which is also thermoresponsive, contributes to particle self-assembly to form ordered structures. Specifically, particles that possess a core/shell topology were investigated to allow for the localization of distinct polymeric properties. Chapter 2 examines a characteri
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14

Fischer, Baptiste. "Caractérisation enzymatique et structurale d'une nouvelle famille d'aldéhyde déshydrogénase impliquée dans la dégradation de composés aromatiques toxiques." Thesis, Université de Lorraine, 2012. http://www.theses.fr/2012LORR0306/document.

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Deux familles d'aldéhyde déshydrogénases (ALDH) phylogénétiquement et structuralement distinctes catalysent l'oxydation des aldéhydes : les ALDH phosphorylantes et les ALDH non phosphorylantes. Ces enzymes jouent un rôle essentiel au niveau cellulaire en intervenant au niveau du métabolisme et dans des processus de détoxication. En 2003, la résolution de la structure tridimensionnelle de l'enzyme bifonctionnelle 4-hydroxy-2-cétovalérate aldolase/acétaldéhyde déshydrogénase (DmpFG) de Pseudomonas sp. CF600 a permis l'identification d'une nouvelle famille d'ALDH : la sous-unité DmpF étant struct
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15

Rung, Andreas. "Numerical Studies of Energy Gaps in Photonic Crystals." Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis : Univ.-bibl. [distributör], 2005. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-5848.

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16

Sokol, Alexey Abramovich. "Defect structures in zeolite crystals." Thesis, University College London (University of London), 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.326272.

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17

Wolff, Christian [Verfasser], and K. [Akademischer Betreuer] Busch. "Band Structure Based Analysis of Certain Photonic Crystal Structures / Christian Wolff. Betreuer: K. Busch." Karlsruhe : KIT-Bibliothek, 2011. http://d-nb.info/1025502272/34.

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18

Glass, Colin William. "Computational crystal structure prediction /." Zürich : ETH, 2008. http://e-collection.ethbib.ethz.ch/show?type=diss&nr=17852.

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19

Parker, Jane Ker. "Crystal structure reactivity correlations." Thesis, University of Cambridge, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.316782.

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20

Strehler, Frank, Marcus Korb, and Heinrich Lang. "Crystal structure of ruthenocenecarbo­nitrile." Universitätsbibliothek Chemnitz, 2015. http://nbn-resolving.de/urn:nbn:de:bsz:ch1-qucosa-166700.

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The mol­ecular structure of ruthenocenecarbo­nitrile, [Ru([eta]5-C5H4C[triple bond]N)([eta]5-C5H5)], exhibits point group symmetry m, with the mirror plane bis­ecting the mol­ecule through the C[triple bond]N substituent. The RuII atom is slightly shifted from the [eta]5-C5H4 centroid towards the C[triple bond]N substituent. In the crystal, mol­ecules are arranged in columns parallel to [100]. One-dimensional inter­molecular [pi]-[pi] inter­actions [3.363 (3) Å] between the C[triple bond]N carbon atom and one carbon of the cyclo­penta­dienyl ring of the overlaying mol­ecule are present.
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21

Thompson, Hugh Patrick George. "Extending crystal structure prediction methods towards flexible molecules." Thesis, University of Cambridge, 2015. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.708949.

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22

Nath, Aparna. "Studies of structure and properties of liquid crystals." Thesis, University of North Bengal, 1995. http://hdl.handle.net/123456789/839.

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23

Blackburn, Anthony C. "Investigations of structural phenomena in selected inorganic and organic crystals via single-crystal x-ray crystallography /." The Ohio State University, 1995. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487862972136077.

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24

Almén, Fredrik. "Band structure computations for dispersive photonic crystals." Thesis, Linköping University, Department of Science and Technology, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-9610.

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<p>Photonic crystals are periodic structures that offers the possibility to control the propagation of light.</p><p>The revised plane wave method has been implemented in order to compute band structures for photonic crystals. The main advantage of the revised plane wave method is that it can handle lossless dispersive materials. This can not be done with a conventional plane wave method. The computational challenge is comparable to the conventional plane wave method.</p><p>Band structures have been calculated for a square lattice of cylinders with different parameters. Both dispersive and non-
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25

McCaw, Charles Stuart. "Electronic structure of lanthanide ions in crystals." Thesis, University of Oxford, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.298628.

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26

Fattah, Jamila. "Structure and dynamics of some molecular crystals." Thesis, University of Oxford, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.303690.

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27

Weber, Christa Hilja Maria. "Structure and dynamics of supramolecular liquid crystals." Thesis, University of Sheffield, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.531155.

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28

Latham, Tina Joy. "Structure and properties of MTiOXO←4 crystals." Thesis, University of Warwick, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.364604.

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29

Brass, Andrew Michael. "Molecular dynamics simulations of fluorite structure crystals." Thesis, University of Edinburgh, 1987. http://hdl.handle.net/1842/12714.

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30

Tang, Xingzhou. "Defect structure and dynamics in liquid crystals." Kent State University / OhioLINK, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=kent1595437628350299.

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31

Ayamine, Alban. "Melting point-structure relationships of multicomponent crystals." Thesis, Cape Peninsula University of Technology, 2015. http://hdl.handle.net/20.500.11838/2320.

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Thesis (MTech (Chemistry))--Cape Peninsula University Of Technology, 2015.<br>Twelve multicomponent crystals of dicarboxylic acids (succinic, adipic and suberic acid) with derivatives of picoline (4-picoline, 2,4-lutidine, 3,4-lutidine and 3,5-lutidine) were analyzed with the aim of finding correlation between their melting points and crystalline structural features. The solvates of SUC•2,4LUT, SUC•3,4LUT, SUC•3,5LUT and ADP•4PIC are already known structures but were remade for completeness and to obtain their accurate melting temperatures. The acids were selected because of their systematical
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32

Koedtruad, Anucha. "SYNTHESIS OF NOVEL METAL HALIDES AND THEIR STRUCTURE-PROPERTY RELATIONS." Doctoral thesis, Kyoto University, 2021. http://hdl.handle.net/2433/263484.

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33

Zhang, Guoqiang. "Stressed Liquid Crystals: Properties and Applications." [Kent, Ohio] : Kent State University, 2007. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=kent1184972979.

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Thesis (Ph.D.)--Kent State University, 2007.<br>Title from PDF t.p. (viewed Mar. 4, 2009). Advisor: John West. Keywords: liquid crystal, polymer, shear, structure, application Includes bibliographical references (p. 252-267).
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34

Heyes, Stephen James. "NMR studies of dynamics in molecular crystals." Thesis, University of Oxford, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.329940.

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35

Islam, Noor Ul. "Alignment structures in ferroelectric liquid crystals." Thesis, University of Oxford, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.299465.

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36

Santos, Flavio Bezerra dos. "Molecular structure and liquid crystallinity." Thesis, University of Southampton, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.243176.

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37

Tang, Chi Ming. "Structure and dynamics of doped ionic clusters : a computational study." HKBU Institutional Repository, 1991. https://repository.hkbu.edu.hk/etd_ra/5.

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38

Saito, Junichi. "Crystal Structure of Microbial Chitosanase." 京都大学 (Kyoto University), 1999. http://hdl.handle.net/2433/181426.

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39

Conti, Elena Eliana. "Crystal structure of firefly luciferase." Thesis, Imperial College London, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.244284.

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40

Tebbutt, Iain John. "Optical activity and crystal structure." Thesis, University of Oxford, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.302911.

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41

Chan, Hin Chung Stephen. "Polymorph prediction of organic (co-) crystal structures from a thermodynamic perspective." Thesis, University of Bradford, 2012. http://hdl.handle.net/10454/5530.

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A molecule can crystallise in more than one crystal structure, a common phenomenon in organic compounds known as polymorphism. Different polymorphic forms may have significantly different physical properties, and a reliable prediction would be beneficial to the pharmaceutical industry. However, crystal structure prediction (CSP) based on the knowledge of the chemical structure had long been considered impossible. Previous failures of some CSP attempts led to speculation that the thermodynamic calculations in CSP methodologies failed to predict the kinetically favoured structures. Similarly, re
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42

Zhao, Xiaofang, and 赵晓芳. "The influence of defects on the domain structure and properties of ferroelectrics." Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2011. http://hub.hku.hk/bib/B47031608.

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43

Buth, Christian. "Advanced electronic structure theory: from molecules to crystals." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2005. http://nbn-resolving.de/urn:nbn:de:swb:14-1132580113554-34509.

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In dieser Dissertation werden ab initio Theorien zur Beschreibung der Zustände von perfekten halbleitenden und nichtleitenden Kristallen, unter Berücksichtigung elektronischer Korrelationen, abgeleitet und angewandt. Als Ausgangsbasis dient hierzu die Hartree-Fock Approximation in Verbindung mit Wannier-Orbitalen. Darauf aufbauend studiere ich zunächst in Teil I der Abhandlung den Grundzustand der wasserstoffbrückengebundenen Fluorwasserstoff und Chlorwasserstoff zick-zack Ketten und analysiere die langreichweitigen Korrelationsbeiträge. Dabei mache ich die Basissatzextrapolationstechniken, di
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44

Thaning, Johan. "Molecular structure in liquid crystals studied by NMR /." Stockholm : Department of Physical, Inorganic and Structural Chemistry, Stockholm university, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-7728.

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45

Rujas, Javier Marti. "Molecular transport, reactivity and structure in organic crystals." Thesis, Cardiff University, 2005. http://orca.cf.ac.uk/56009/.

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The work presented in this thesis is based on studies concerning structural properties of molecular solids, and is composed of three different parts. First, structural aspects of solid state dimerization reactions have been studied using 1H NMR and powder X-ray diffraction. The experiments are based on the photoreactions of cinnamic acids in the solid state. These materials show photochemical behaviour upon irradiation by UV light. The /-phase (photoreactive polymorph) of 4-cMoro-/ra s-cinnamic acid was chosen as the primary material for study, and a combination of powder X-ray diffraction and
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46

Farquhar, Colin Pirie. "Interface electronic structure." Thesis, University of Edinburgh, 1988. http://hdl.handle.net/1842/14824.

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47

Angelucci, Francesco. "A Structural approach to schistosomiasis: crystal structure of two antigenic proteins with important physiological roles." Doctoral thesis, La Sapienza, 2005. http://hdl.handle.net/11573/916789.

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48

Keates, P. A. "The development of organized structure in cellulose derivatives." Thesis, University of Reading, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.384910.

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49

Bailey, Christopher Allen. "Structure and Rheology of Some Bent Core Liquid Crystals." Kent State University / OhioLINK, 2008. http://rave.ohiolink.edu/etdc/view?acc_num=kent1216229977.

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50

Eddleston, Mark David. "Crystal form and defect analysis of pharmaceutical materials." Thesis, University of Cambridge, 2012. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.610090.

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