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Dissertations / Theses on the topic 'Crystallography'

Author: Grafiati

Published: 4 June 2021

Last updated: 25 July 2025

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1

Leech, Michael Andrew. "Supramolecular crystallography." Thesis, University of Oxford, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.301231.

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2

Xie, Yong. "Maximum entropy in crystallography." Thesis, De Montfort University, 2003. http://hdl.handle.net/2086/4220.

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3

Barnard, Edward S. "AtomicControl : a crystallography simulator." Thesis, Massachusetts Institute of Technology, 2005. http://hdl.handle.net/1721.1/32853.

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Thesis (S.B.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, 2005.<br>Includes bibliographical references (p. 51).<br>AtomicControl is a software package designed to aid in the teaching of crystallography and x-ray diffraction concepts to materials science students. It has the capability to create an arbitrary crystal structure based on the user's specification of a space group and atomic coordinates. It also can generate a simulated powder diffractogram based on the user's generated crystal. The program is fully interactive and allows the user to view the

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4

Ellis, Matthew James. "Electron crystallography of soluble proteins /." Stockholm, 1999. http://diss.kib.ki.se/1999/91-628-3549-1/.

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5

Kinna, David John. "Pattern recognition in chemical crystallography." Thesis, University of Oxford, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.318724.

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6

Boyce, Geraldine. "Electron crystallography of organic pigments." Thesis, University of Glasgow, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.340747.

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7

Gilmore, C. J. "The phase problem in crystallography." Thesis, University of Glasgow, 2000. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.321995.

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8

Henderson, R. K. "Some theoretical aspects of crystallography." Thesis, University of York, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.377279.

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9

Lolis, Elias. "Crystallography and mutogenesis triosephosphate isomerase." Thesis, Massachusetts Institute of Technology, 1990. http://hdl.handle.net/1721.1/13959.

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10

Kerr, Hannah Elin. "NMR crystallography of disordered cocrystals." Thesis, Durham University, 2017. http://etheses.dur.ac.uk/12037/.

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Crystallographic disorder is common in the solid state but it is rarely investigated explicitly despite having a fundamental impact on the solid-state structure of a material. In this work, nuclear magnetic resonance (NMR) crystallography methods are utilised to achieve a detailed understanding of the structure and dynamics of solid organic systems containing disorder. Several new cocrystal systems are studied, each containing a topical drug molecule (caffeine, naproxen or furosemide) and each serving to demonstrate how NMR crystallography can be applied to a variety of structural questions. H

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11

Tourigny, David Scott. "Overcoming challenges in macromolecular crystallography." Thesis, University of Cambridge, 2014. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.708430.

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12

Maehigashi, Tatsuya. "Ultra-high resolution DNA crystallography." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2009. http://hdl.handle.net/1853/29684.

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Thesis (Ph.D)--Chemistry and Biochemistry, Georgia Institute of Technology, 2009.<br>Committee Chair: Williams, Loren; Committee Member: Bottomley, Lawrence; Committee Member: Hud, Nicholas; Committee Member: Oyelere, Adegboyega; Committee Member: Wartell, Roger. Part of the SMARTech Electronic Thesis and Dissertation Collection.

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13

Ishiyama, Noboru. "Electron crystallography of myelin basic protein." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 2001. http://www.collectionscanada.ca/obj/s4/f2/dsk3/ftp04/MQ56331.pdf.

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14

Clifton, Ian Jeffrey. "Laue crystallography of proteins and viruses." Thesis, University of Oxford, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.316825.

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15

Ralph, Adam Charles. "Physical and direct methods in crystallography." Thesis, University of York, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.304487.

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16

Casadei, Cecilia Maria. "Neutron crystallography of a heme peroxidase." Thesis, University of Leicester, 2015. http://hdl.handle.net/2381/33365.

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Heme peroxidases are an ubiquitous family of catalytic iron-containing proteins. These enzymes are responsible for the catalysis of hydrogen peroxide removal from the cell through the formation of high valent transient states of the heme cofactor. The purpose of the present research project is to investigate the reaction pathway of cytochrome c peroxidase. The study of hydrogen related chemical features in the active site of this enzyme in the resting state and in the transient species is of paramount importance for the clarification of the reaction mechanism. In these circumstances neutron cr

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17

Anderson, Megan J. Quake Stephen R. Quake Stephen R. "Microfluidics-based strategies for protein crystallography /." Diss., Pasadena, Calif. : California Institute of Technology, 2009. http://resolver.caltech.edu/CaltechETD:etd-10172008-222221.

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18

Yang, Ding-Shyue (Jerry) McKoy Vincent Zewail Ahmed H. "Ultrafast electron crystallography: principles and applications /." Diss., Pasadena, Calif. : California Institute of Technology, 2009. http://resolver.caltech.edu/CaltechETD:etd-05082009-170032.

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19

Tosi, Giovanna <1979&gt. "Macromolecular crystallography: crystallisation and structural determination." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2009. http://amsdottorato.unibo.it/1625/1/TESI_GT.pdf.

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20

Tosi, Giovanna <1979&gt. "Macromolecular crystallography: crystallisation and structural determination." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2009. http://amsdottorato.unibo.it/1625/.

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21

Mifsud, Richard William. "An exploration of some aspects of molecular replacement in macromolecular crystallography." Thesis, University of Cambridge, 2018. https://www.repository.cam.ac.uk/handle/1810/282871.

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This thesis reports work in three areas of X-ray crystallography. An initial chapter describes the structure of a protein, the methods based on the use of X-rays and computer analysis of diffraction patterns to determine crystal structure, and the subsequent derivation of the structure of part or all of a protein molecule. Work to determine the structure of the protein cytokine receptor-like factor 3 (CRLF3) leading to the successful generation of a structural model of a significant part of this molecule is then described in Chapter 2. A variety of techniques had to be deployed to complete thi

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22

Carlsson, Gunilla. "Crystallography in Four Dimensions : Methods and Applications." Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis : Univ.bibl. [distributör], 2004. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-4301.

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23

Dean, Christopher. "Crystallography of transformation mechanisms in inorganic compounds /." Title page, contents and abstract only, 1986. http://web4.library.adelaide.edu.au/theses/09PH/09phd281.pdf.

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24

Zheleva, Zhasmina Vasileva. "Surface crystallography of complex and disordered surfaces." Thesis, University of Reading, 2012. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.553057.

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25

O'Connor-Farbiarz, Melissa. "Overcoming the bottleneck phases in protein crystallography." Thesis, University of Liverpool, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.533950.

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26

Wall, Clare. "Mathematical methods in protein x-ray crystallography." Thesis, University of York, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.403863.

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27

Sharma, Rishi Ph D. Massachusetts Institute of Technology. "The crystallography of three flavor quark matter." Thesis, Massachusetts Institute of Technology, 2007. http://hdl.handle.net/1721.1/45393.

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Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Physics, 2007.<br>Includes bibliographical references (p. 197-209).<br>The nature of cold three-flavor quark matter at the large (but not asymptotic) densities relevant to neutron star phenomenology is not resolved. The gapless CFL phase, which was previously believed to have the lowest free energy, was recently shown to be unstable in the sense that some phase must have lower free energy. The nature of the instability motivates the hypothesis that the stable phase is a crystalline color superconductor. In this thesis, we present

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28

Lee, Rachael. "Extreme conditions crystallography of polymorphic co-crystals." Thesis, Durham University, 2017. http://etheses.dur.ac.uk/12065/.

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This work has two principal sections. The first section is a study of the hydrogen bonding in a series of urea inclusion compounds, utilising neutron diffraction methods and a novel technique for growing neutron diffraction-suitable single crystals. The second section focusses on high pressure crystallography as a technique for exploring polymorphic landscapes, of a series of acid-base co-crystals, and the well-known active pharmaceutical ingredient 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile (ROY). Single crystal neutron structures at several temperatures have been determined fo

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29

Gerstel, Markus. "Radiation damage in protein crystallography : susceptibility study." Thesis, University of Oxford, 2014. http://ora.ox.ac.uk/objects/uuid:be55baee-19b7-4a34-8694-fb9c3606a19c.

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Protein structure models obtained from X-ray crystallography are subject to radiation damage. The resulting specific alterations to protein structures can be mistaken for biological features, or may obscure actual protein mechanisms, leading to misidentification or obscuration of biological insight. The radiation chemistry behind this site-specific damage is not well understood. Radiation damage processes progress in proportion to the dose absorbed by the crystal in the diffraction experiment. Doses can be estimated using existing software, but these assume idealised experimental conditions. T

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30

Stewart, Andrew A. "Developments in structure solution for electron crystallography." Thesis, University of Glasgow, 2003. http://theses.gla.ac.uk/30828/.

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The concept of electron crystallography is by no means new, although the majority of crystallographers will never have contemplated trying the technique, to solve a structural problem. Electron crystallography is fraught with problems from sample preparation, and data collection to structure solution, all have unique and challenging problems when being used in the context of electron crystallography. New techniques and methodologies for structure solution using electron crystallographic data are presented with the aim of making structure solution a more routine part of the procedure for electr

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31

Ginn, Helen. "Improved methods for serial femtosecond crystallography reduction." Thesis, University of Oxford, 2017. http://ora.ox.ac.uk/objects/uuid:a69f65b8-84d9-4c3a-84b9-155ded0e5dee.

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X-ray free electron lasers (XFELs) are a young technology which alleviates a number of issues, including radiation damage, which remain problematic in conventional macromolecular X-ray crystallography. As it turned out, existing methods had been optimised for synchrotron-based rotation data and coped poorly with snapshot XFEL diffraction images. In the first four results chapters, I present algorithms developed in my efforts to contribute to improved data reduction for XFEL analysis. In order of execution, these are: detector geometry refinement, indexing, initial orientation matrix refinement

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32

Lequeu, Ph. "Comparison of crystallographic and continuum yield surfaces for textured polycrystals." Thesis, McGill University, 1986. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=74039.

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33

Santoni, Gianluca. "Structural dynamics of acetylcholinesterase and its implications in reactivators design." Thesis, Université Grenoble Alpes (ComUE), 2015. http://www.theses.fr/2015GREAY019/document.

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L’acétylcholinestérase (AChE), une des enzymes les plus rapides dans la nature, est lacible d’un large nombre de toxiques, dont notamment les neurotoxiques organophosphorés.La première partie de ce manuscrit de thèse décrit le développement raisonné d’un nouveauréactivateur, qui présente des propriétés de réactivation supérieures aux moléculesactuellement sur le marché. Les interactions entre cette molécule, KM297, et l’AChE ontété étudiées par dynamique moléculaire, docking et cristallographie aux rayons X. La connaissancedes modes de liaison du KM297 dans l’AChE native ou inhibé par un OP on

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34

Meng, Guoyu. "Structural study of levansucrase by x-ray crystallography." Thesis, University of Birmingham, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.403446.

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35

Shilova, Anastasiia. "Development of serial protein crystallography with synchrotron radiation." Thesis, Université Grenoble Alpes (ComUE), 2016. http://www.theses.fr/2016GREAY034/document.

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Le rayonnement synchrotron est l'un des facteurs clés du grand succès de la cristallographie macromoléculaire au cours des dernières décennies. Plus de 90% de toutes les structures de protéines de la base de données PDB a été résolu par cristallographie en utilisant des sources de rayonnement synchrotron et environ 95% d'entre elles a été déterminé à partir de cristaux congelés.Cependant, les structures déterminées par des techniques de congélation sont limitées par la nature statique des cristaux congelés. Avec le développement récent des sources de RX produites par lasers à électrons libres

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36

Heller, Kyle Jeffrey. "CRYSTALLOGRAPHY OF TITANIUM BASED ORGANIC-INORGANIC HALIDE PEROVSKITES." OpenSIUC, 2020. https://opensiuc.lib.siu.edu/theses/2798.

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Kyle Heller, for the Master of Science degree in Mechanical Engineering, presented on October 2020, at Southern Illinois University Carbondale.MAJOR PROFESSOR: Dr. Kanchan Mondal Using powder X-ray diffraction, a material can have its crystalline structure identified. Powder X-ray diffraction alone is not enough if a material is unknown. Usually the exact chemical formula of the material is known, or a secondary analytical method is used to extract additional data in order to analyze the crystalline structure using Bragg’s law and the interplanar relationships. Secondary analytical methods ar

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37

Salager, Elodie. "High-resolution solid-state NMR for powder crystallography." Lyon, Ecole normale supérieure, 2010. http://www.theses.fr/2010ENSL0592.

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La connaissance de la structure tridimensionnelle d’un composé solide est essentielle pour la compréhension de ses propriétés et le développement de nouveaux matériaux. La diffraction des rayons X est communément utilisée pour déterminer la structure des composés monocristallins. La caractérisation structurale de composés sous forme de poudre présente plus de difficulté. En particulier, beaucoup de composés ne peuvent pas être obtenus sous forme de monocristaux ; et les composés hautement polymorphiques (tels que la plupart des médicaments) doivent être caractérisés « tels quels » afin de limi

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38

Özmen, Bahar Eanes Mehtap Thesis advisor. "Hydrothermal synthesis of solid state materials and crystallography/." [s.l.]: [s.n.], 2004. http://library.iyte.edu.tr/tezler/master/kimya/T000479.pdf.

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39

Geissbühler, Marc Phillip. "X-ray interfacial crystallography of water on calcite /." Thesis, Connect to this title online; UW restricted, 2000. http://hdl.handle.net/1773/9634.

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40

Schenk, Andreas Daniel. "Structure determination of membrane proteins by electron crystallography /." Basel : [s.n.], 2007. http://edoc.unibas.ch/diss/DissB_7930.

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41

Lübben, Anna. "Algorithms for Crystal Structure Determination in Macromolecular Crystallography." Doctoral thesis, Niedersächsische Staats- und Universitätsbibliothek Göttingen, 2019. http://hdl.handle.net/21.11130/00-1735-0000-0005-12B9-6.

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42

Sadow, Jennifer Beth Hurley. "The X-ray crystal structure of wheat translation initiation factor eIF4E /." Thesis, Full text (PDF) from UMI/Dissertation Abstracts International, 2002. http://wwwlib.umi.com/cr/utexas/fullcit?p3085056.

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43

Magee, Iris. "Isometries in three space and the seven solid crystal systems." CSUSB ScholarWorks, 1995. https://scholarworks.lib.csusb.edu/etd-project/1110.

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44

Davies, Robert. "Methods development and radiation damage studies in macromolecular crystallography." Thesis, University of Oxford, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.491362.

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Radiation damage limits the amount of time that a macromolecular crystal diffracts when exposed to X-ray irradiation. Various aspects of this problem were inv~stigated in this work along with methods development for quantitative determination of the metal content of proteins and celIs. In particular, the iron storage protein ferritin was used to extend current understanding of the changes that occur in macromolecular crystals held at 100 K during exposure to X-rays. The characteristics of the expl!nsion in unit celI volume with absorbed dose and with temperature were examined and found to be d

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45

Zwart, Petrus Hendrik. "Error estimation and pattern recognition techniques in protein crystallography." [S.l. : Amsterdam : s.n.] ; Universiteit van Amsterdam [Host], 2003. http://dare.uva.nl/document/68420.

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46

Christensen, Kirsten Elvira. "Open-Framework Germanates : Crystallography, structures and cluster building units." Doctoral thesis, Stockholm : Department of Physical, Inorganic and Structural Chemistry, Stockholm university, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-7501.

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47

Collins, Anna. "The X-ray crystallography of Z'>1 materials." Thesis, University of Oxford, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.437369.

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48

Lo, Victor Lai-Xin. "Iterative projection algorithms and applications in x-ray crystallography." Thesis, University of Canterbury. Electrical and Computer Engineering, 2011. http://hdl.handle.net/10092/5476.

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X-ray crystallography is a technique for determining the structure (positions of atoms in space) of molecules. It is a well developed technique, and is applied routinely to both small inorganic and large organic molecules. However, the determination of the structures of large biological molecules by x-ray crystallography can still be an experimentally and computationally expensive task. The data in an x-ray experiment are the amplitudes of the Fourier transform of the electron density in the crystalline specimen. The structure determination problem in x-ray crystallography is therefore identic

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49

Lees, Nicholas Sean. "EPR crystallography : studies of defect centres in single crystals." Thesis, University of Canterbury. Chemistry, 2001. http://hdl.handle.net/10092/6077.

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This thesis presents the results of precise X-band electron paramagnetic resonance studies of zircon (ZrSiO4) and α-quartz (SiO2) single crystals at temperatures between 15 and 100 K, and the synthesis of the zircon crystals studied. Zircon crystals have been grown using the flux-growth technique, producing well-shaped crystals up to 4 mm in length. The technique was used to grow both doped and nominally undoped crystals. Dopants successfully incorporated into the zircon crystals were titanium, chromium, yttrium, aluminium and boron. Analysis of Ti4+ /Y3+ -doped zircon crystals revealed four

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50

Alves-Areias, A. "Investigation of host-guest interactions by x-ray crystallography." Thesis, Queen's University Belfast, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.395365.

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