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Crystal Structure Refinement
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Book Synopsis Crystal Structure Refinement by : Peter Muller
Download or read book Crystal Structure Refinement written by Peter Muller and published by Oxford University Press, USA. This book was released on 2006-07-13 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: Accompanying CD-ROM contains all the files necessary to reproduce the refinements covered in the text.
Book Synopsis Crystal Structure Refinement by : Peter Muller
Download or read book Crystal Structure Refinement written by Peter Muller and published by OUP Oxford. This book was released on 2006-07-13 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: Crystal Structure Refinement is a mixture of textbook and tutorial. As A Crystallographers Guide to SHELXL it covers advanced aspects of practical crystal structure refinement, which have not been much addressed by textbooks so far. After an introduction to SHELXL in the first chapter, a brief survey of crystal structure refinement is provided. Chapters three and higher address the various aspects of structure refinement, from the treatment of hydrogen atoms to the assignment of atom types, to disorder, to non-crystallographic symmetry and twinning. One chapter is dedicated to the refinement of macromolecular structures and two short chapters deal with structure validation (one for small molecule structures and one for macromolecules). In each of the chapters the book gives refinement examples, based on the program SHELXL, describing every problem in detail. It comes with a CD-ROM with all files necessary to reproduce the refinements.
Book Synopsis The crystal structure refinement of a-Yb5Sb4 by : Herbert L. Clark
Download or read book The crystal structure refinement of a-Yb5Sb4 written by Herbert L. Clark and published by . This book was released on 1969 with total page 56 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Rietveld Refinement by : Robert E. Dinnebier
Download or read book Rietveld Refinement written by Robert E. Dinnebier and published by Walter de Gruyter GmbH & Co KG. This book was released on 2018-12-17 with total page 347 pages. Available in PDF, EPUB and Kindle. Book excerpt: Almost 50 years have passed since the famous papers of Hugo Rietveld from the late sixties where he describes a method for the refinement of crystal structures from neutron powder diffraction data. Soon after, the potential of the method for laboratory X-ray powder diffraction was discovered. Although the method is now widely accepted, there are still many pitfalls in the theoretical understanding and in practical daily use. This book closes the gap with a theoretical introduction for each chapter followed by a practical approach.The flexible macro type language of the Topas Rietveld software can be considered as the defacto standard.
Book Synopsis Symmetry Relationships Between Crystal Structures by : Ulrich Müller
Download or read book Symmetry Relationships Between Crystal Structures written by Ulrich Müller and published by Academic. This book was released on 2013-04-04 with total page 349 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book presents the basic information needed to understand and to organize the huge amount of known structures of crystalline solids. Its basis is crystallographic group theory (space group theory), with special emphasis on the relations between the symmetry properties of crystals.
Book Synopsis Improved Crystal Structure Refinement Through Maximum Likelihood by : Navraj Singh Pannu
Download or read book Improved Crystal Structure Refinement Through Maximum Likelihood written by Navraj Singh Pannu and published by . This book was released on 1998 with total page 98 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Powder Diffraction written by Georg Will and published by Springer Science & Business Media. This book was released on 2006-01-26 with total page 232 pages. Available in PDF, EPUB and Kindle. Book excerpt: Crystal structure analysis from powder diffraction data has attracted considerable and ever growing interest in the last decades. X-ray powder diffraction is best known for phase analysis (Hanawalt files) dating back to the 30s. In the late 60s the inherent potential of powder diffraction for crystallographic problems was realized and scientists developed methods for using powder diffraction data at first only for the refinement of crystal structures. With the development of ever growing computer power profile fitting and pattern decomposition allowed to extract individual intensities from overlapping diffraction peaks opening the way to many other applications, especially to ab initio structure determination. Powder diffraction today is used in X-ray and neutron diffraction, where it is a powerful method in neutron diffraction for the determination of magnetic structures. In the last decade the interest has dramatically improved. There is hardly any field of crystallography where the Rietveld, or full pattern method has not been tried with quantitative phase analysis the most important recent application.
Book Synopsis Crystal Structure Analysis by : Alexander J Blake
Download or read book Crystal Structure Analysis written by Alexander J Blake and published by Oxford University Press. This book was released on 2009-06-18 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: By choosing an approach that avoids undue emphasis on the mathematics involved, this book gives practical advice on topics such as growing crystals, solving and refining structures, and understanding and using the results.
Book Synopsis Improved Crystal Structure Refinement Through Maximum Likelihood by :
Download or read book Improved Crystal Structure Refinement Through Maximum Likelihood written by and published by . This book was released on 1998 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Crystal Structure Refinement by Least Squares with the IBM 650 by : L. R. Lavine
Download or read book Crystal Structure Refinement by Least Squares with the IBM 650 written by L. R. Lavine and published by . This book was released on 1957 with total page 31 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Crystal Structure Determination by : Werner Massa
Download or read book Crystal Structure Determination written by Werner Massa and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 210 pages. Available in PDF, EPUB and Kindle. Book excerpt: A concise introduction to modern crystal structure determination, emphasizing both the crystallographic background and the successive practical steps. In the theoretical sections, more importance is attached to a good understanding, than to a rigorous mathematical treatment. The most important measuring techniques, including the use of modern area detectors, and the methods of data reduction, structure solution and refinement are discussed from a practical point of view. Special emphasis is put on the ability to recognize and avoid possible errors and traps, and to judge the quality of results.
Book Synopsis The crystal structure refinement of La2Te3 and NdTe by : William Lee Cox
Download or read book The crystal structure refinement of La2Te3 and NdTe written by William Lee Cox and published by . This book was released on 1965 with total page 62 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Crystal Structure Analysis by : Jenny Pickworth Glusker
Download or read book Crystal Structure Analysis written by Jenny Pickworth Glusker and published by OUP Oxford. This book was released on 2010-05-27 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book aims to explain how and why the detailed three-dimensional architecture of molecules can be determined by an analysis of the diffraction patterns obtained when X rays or neutrons are scattered by the atoms in single crystals. Part 1 deals with the nature of the crystalline state, diffraction generally, and diffraction by crystals in particular, and, briefly, the experimental procedures that are used. Part II examines the problem of converting the experimentally obtained data into a model of the atomic arrangement that scattered these beams. Part III is concerned with the techniques for refining the approximate structure to the degree warranted by the experimental data. It also describes the many types of information that can be learned by modern crystal structure analysis. There is a glossary of terms used and several appendixes to which most of the mathematical details have been relegated.
Book Synopsis Refinement of Hematite Crystal Structure by :
Download or read book Refinement of Hematite Crystal Structure written by and published by . This book was released on 1970 with total page 26 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis 21st Century Challenges in Chemical Crystallography I by : D. Michael P. Mingos
Download or read book 21st Century Challenges in Chemical Crystallography I written by D. Michael P. Mingos and published by Springer Nature. This book was released on 2021-01-20 with total page 285 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume summarises recent developments and possible future directions for small molecule X-ray crystallography. It reviews specific areas of crystallography which are rapidly developing and places them in a historical context. The interdisciplinary nature of the technique is emphasised throughout. It introduces and describes the chemical crystallographic and synchrotron facilities which have been at the cutting edge of the subject in recent decades. The introduction of new computer-based algorithms has proved to be very influential and stimulated and accelerated the growth of new areas of science. The challenges which will arise from the acquisition of ever larger databases are considered and the potential impact of artificial intelligence techniques stressed. Recent advances in the refinement and analysis of X-ray crystal structures are highlighted. In addition the recent developments in time resolved single crystal X-ray crystallography are discussed. Recent years have demonstrated how this technique has provided important mechanistic information on solid-state reactions and complements information from traditional spectroscopic measurements. The volume highlights how the prospect of being able to routinely “watch” chemical processes as they occur provides an exciting possibility for the future. Recent advances in X-ray sources and detectors that have also contributed to the possibility of dynamic single-crystal X-ray diffraction methods are presented. The coupling of crystallography and quantum chemical calculations provides detailed information about electron distributions in crystals and has resulted in a more detailed understanding of chemical bonding. The volume will be of interest to chemists and crystallographers with an interest in the synthesis, characterisation and physical and catalytic properties of solid-state materials. Postgraduate students entering the field will benefit from a historical introduction to the subject and a description of those techniques which are currently used. Since X-ray crystallography is used so widely in modern chemistry it will serve to alert senior chemists to those developments which will become routine in coming decades. It will also be of interest to the broad community of computational chemists who study chemical systems.
Book Synopsis The Essence Of Crystallography by : Mark Ladd
Download or read book The Essence Of Crystallography written by Mark Ladd and published by World Scientific. This book was released on 2019-11-19 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt: 'To summarise, Professor Ladd has written a highly engaging text designed to provide the underlying principles of crystal structure determination through X-ray diffraction data. This text would be most appropriate for an early stage postgraduate or researcher interested in learning both the underlying principles of crystallography and gaining some practice with structure-solving software.'Contemporary PhysicsDesigned for those who wish to understand and engage with the principles behind the process of crystal structure determination by X-ray diffraction, this title contains a comprehensive series of chapters, each of which concludes with a set of problems, for which solutions are provided. An ideal resource for senior undergraduates and early-stage postgraduates, The Essence of Crystallography has an accompanying website with programs written for the text, including an interactive simulation of crystal structure determination using prepared intensity data sets.
Book Synopsis Application of Robust/resistant Techniques to Crystal Structure Refinement by :
Download or read book Application of Robust/resistant Techniques to Crystal Structure Refinement written by and published by . This book was released on 1976 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: The least squares technique commonly used for refining crystal structures is neither robust (min variance with errors in experimental data) nor resistant (not highly dependent on any small subset of data). Other methods of fitting are being developed which are more robust/resistant, and this paper endeavors to apply these methods to crystal structure refinement. The Tukey biweight W-function succeeds in minimizing the influence of poor data. (DLC).
