The principle aim of this thesis is the detailing of the development and subsequent use of electron crystallographic techniques which employ the maximum entropy approach. An account is given of the electron microscope as a crystallographic instrument, along with the necessary theory involved. Also, an overview of the development of electron crystallography, as a whole, is given.
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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.
A PhD position in chemical crystallography is available at the University of Bern (Department of Chemistry and Biochemistry), in the group of PD Dr. Piero Macchi. The specific subject of the PhD thesis depe nds on the profile of the candidate. The main research subjects of the group are: a) determination and analysis of the elec tron density distribution in solids and correlation with.
Multi-dataset electron density analysis methods for X-ray crystallography. Abstract: X-ray crystallography is extensively deployed to determine the structure of proteins, both unbound and bound to different molecules. Crystallography has the power to visually reveal the binding of small molecules, assisting in their development in structure-based lead design. Currently, however, the methods.
Doctoral thesis, Durham University. Preview. PDF 4Mb: Abstract. 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.
You will find applets dedicated to the three basic topics of crystallography, namely symmetry, diffraction and structure solution algorithms. The symmetry applets range from learning the concept of point group symmetry, getting familiar with the symmetry of periodic objects in two dimensions, and also learning about the space group concept for the description of crystalline structures in 3D.
X-ray crystallography. The X-ray crystallography suite is located in room 5.62 in the Chemistry Building and provides both single crystal and powder diffraction facilities. These facilities are for use by staff, students and commercial customers. We currently have six X-ray diffractometers capable of collecting data for single crystal collections, powder XRD and small single X-ray scattering.
PhD thesis, University of Liverpool. Stavroglou, Stavros (2020). Exploring unconventional approaches to Molecular Replacement in X-ray crystallography with SIMBAD. PhD thesis, University of Liverpool. Sheen, Florence (2020) Why do we overeat from larger portions? Plate-clearing tendencies and food waste concerns as potential explanations. Doctor of Philosophy thesis, University of Liverpool.
The main goal of the work presented in this thesis is to develop and apply computational tools for NMR crystallography, namely the combination of theoretical and computational methods with experimental solid-state NMR and powder X-ray diffraction. The Ab Initio Random Structure Searching (AIRSS) approach was applied to predict the structure of an organic solid, maminobenzoic acid (mABA).
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Dunn, Iain, (Researcher in physics) (2012) Crystallography of new materials for clean energy production and the switch to a hydrogen based economy. PhD thesis, University of Warwick. Duncan, David A. (2012) Adsorbate structure determination using energy scanned photoelectron diffraction. PhD thesis, University of Warwick. Dias, Manuel dos Santos (2011) Ab-initio theory of the magnetic.
E-Theses Online Service (EThOS) is a bibliographic database and union catalogue of electronic theses provided by the British Library, the National Library of the United Kingdom. As of March 2018 EThOS provides access to approximately 480,000 doctoral theses awarded by over 140 UK higher education institutions, with around 3000 new thesis records added every month.
Students are given the opportunity to undertake a research project and submit a thesis for examination in accordance with the University’s regulations governing their PhD programme and the research is intended to lead to academic publications and to further the student’s career. Studentship projects are extremely varied, but are all similar in the sense that they are pushing the boundaries.
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The patterns in which atoms are arranged in the solid state determine properties. These arrangements can be manipulated by altering parameters such as the chemical composition, temperature and magnetic field. A phase transformation is a change in the pattern of atoms. We work on phase transformations and the relationship between structure and properties.
The first goal of the platform is to provide research teams working in the field of macromolecular crystallography at the Institut Pasteur with the expertise and technology required for automated crystallogenesis, X-ray diffraction measurements, and crystallographic computing as a core facility. The platform has obtained significant funding from the Institut Pasteur and from external sources.
Eloisa Angeles defends thesis January, 2013. PCCP paper on NMR crystallography published and featured on journal cover January, 2013 Pair of papers selected as Very Important Papers by Chemistry - A European Journal. January, 2013 EPSRC grant awarded on Porous Organic Crystals. December, 2012 Graeme joins the editorial board of CrystEngComm. December, 2012 David Case starts in the group.
Ph.D. thesis, by Pratik Kumar Mallick, Indian Institute of Engineering Science and Technology, 2017. Thesis; Effects of niobium in the heat-affected zone of microalloyed steel. Ph.D. thesis, by Neelabhro Madhav Bhattacharya, University of Cambridge, 2017. Thesis; Modelling of microstructure development in silicon-containing bainitic free-machining steels. Ph.D. thesis, by Guo Lei, University.