Download or read book Structure Determination from Powder Diffraction Data written by William I. F. David and published by OUP Oxford. This book was released on 2002 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Our understanding of the properties of materials, from drugs and proteins to catalysts and ceramics, is almost always based on structural information. This book describes the new developments in the realm of powder diffraction which make it possible for scientists to obtain such information even from polycrystalline materials. Written and edited by experts active in the field, and covering both the fundamental and applied aspects of structure solution from powder diffraction data, this book guides both novices and experienced practitioners alike through the maze of possibilities.
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.
Download or read book Fundamentals of Powder Diffraction and Structural Characterization of Materials Second Edition written by Vitalij Pecharsky and published by Springer Science & Business Media. This book was released on 2008-11-24 with total page 751 pages. Available in PDF, EPUB and Kindle. Book excerpt: A little over ?ve years have passed since the ?rst edition of this book appeared in print. Seems like an instant but also eternity, especially considering numerous developments in the hardware and software that have made it from the laboratory test beds into the real world of powder diffraction. This prompted a revision, which had to be beyond cosmetic limits. The book was, and remains focused on standard laboratory powder diffractometry. It is still meant to be used as a text for teaching students about the capabilities and limitations of the powder diffraction method. We also hope that it goes beyond a simple text, and therefore, is useful as a reference to practitioners of the technique. The original book had seven long chapters that may have made its use as a text - convenient. So the second edition is broken down into 25 shorter chapters. The ?rst ?fteen are concerned with the fundamentals of powder diffraction, which makes it much more logical, considering a typical 16-week long semester. The last ten ch- ters are concerned with practical examples of structure solution and re?nement, which were preserved from the ?rst edition and expanded by another example – R solving the crystal structure of Tylenol .
Download or read book Structure Determination from Powder Diffraction Data written by W. I. F. David and published by OUP Oxford. This book was released on 2006-08-03 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: The art of solving a structure from powder diffraction data has developed rapidly over the last ten years to the point where numerous crystal structures, both organic and inorganic, have been solved directly from powder data. However, it is still an art and, in contrast to its single crystal equivalent, is far from routine. The art lies not only in the correct application of a specific experimental technique or computer program, but also in the selection of the optimal path for the problem at hand. Written and edited by experts active in the field, and covering both the fundamental and applied aspects of structure solution from powder diffraction data, this book guides both novices and experienced practitioners alike through the maze of possibilities.
Download or read book Powder Diffraction written by and published by DIANE Publishing. This book was released on 1995 with total page 18 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Fundamentals of Powder Diffraction and Structural Characterization of Materials Second Edition written by Vitalij Pecharsky and published by Springer Science & Business Media. This book was released on 2008-11-26 with total page 751 pages. Available in PDF, EPUB and Kindle. Book excerpt: A little over ?ve years have passed since the ?rst edition of this book appeared in print. Seems like an instant but also eternity, especially considering numerous developments in the hardware and software that have made it from the laboratory test beds into the real world of powder diffraction. This prompted a revision, which had to be beyond cosmetic limits. The book was, and remains focused on standard laboratory powder diffractometry. It is still meant to be used as a text for teaching students about the capabilities and limitations of the powder diffraction method. We also hope that it goes beyond a simple text, and therefore, is useful as a reference to practitioners of the technique. The original book had seven long chapters that may have made its use as a text - convenient. So the second edition is broken down into 25 shorter chapters. The ?rst ?fteen are concerned with the fundamentals of powder diffraction, which makes it much more logical, considering a typical 16-week long semester. The last ten ch- ters are concerned with practical examples of structure solution and re?nement, which were preserved from the ?rst edition and expanded by another example – R solving the crystal structure of Tylenol .
Download or read book Structure Determination by X Ray Crystallography written by M. F. C. Ladd and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: Crystallography may be described as the science of the structure of materi als, using this word in its widest sense, and its ramifications are apparent over a broad front of current scientific endeavor. It is not surprising, therefore, to find that most universities offer some aspects of crystallography in their undergraduate courses in the physical sciences. It is the principal aim of this book to present an introduction to structure determination by X-ray crystal lography that is appropriate mainly to both final-year undergraduate studies in crystallography, chemistry, and chemical physics, and introductory post graduate work in this area of crystallography. We believe that the book will be of interest in other disciplines, such as physics, metallurgy, biochemistry, and geology, where crystallography has an important part to play. In the space of one book, it is not possible either to cover all aspects of crystallography or to treat all the subject matter completely rigorously. In particular, certain mathematical results are assumed in order that their applications may be discussed. At the end of each chapter, a short bibliog raphy is given, which may be used to extend the scope of the treatment given here. In addition, reference is made in the text to specific sources of information. We have chosen not to discuss experimental methods extensively, as we consider that this aspect of crystallography is best learned through practical experience, but an attempt has been made to simulate the interpretive side of experimental crystallography in both examples and exercises.
Download or read book Industrial Applications of X Ray Diffraction written by Frank Smith and published by CRC Press. This book was released on 1999-09-22 with total page 1026 pages. Available in PDF, EPUB and Kindle. Book excerpt: By illustrating a wide range of specific applications in all major industries, this work broadens the coverage of X-ray diffraction beyond basic tenets, research and academic principles. The book serves as a guide to solving problems faced everyday in the laboratory, and offers a review of the current theory and practice of X-ray diffraction, major advances and potential uses.
Download or read book Powder diffraction proceedings of the II International School on Powder Diffraction January 20 23 2002 IACS Kolkata India as part of 125 years of celebration written by S. P. Sen Gupta and published by Allied Publishers. This book was released on 2002 with total page 182 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Uniting Electron Crystallography and Powder Diffraction written by Ute Kolb and published by Springer. This book was released on 2012-12-20 with total page 427 pages. Available in PDF, EPUB and Kindle. Book excerpt: The polycrystalline and nanocrystalline states play an increasingly important role in exploiting the properties of materials, encompassing applications as diverse as pharmaceuticals, catalysts, solar cells and energy storage. A knowledge of the three-dimensional atomic and molecular structure of materials is essential for understanding and controlling their properties, yet traditional single-crystal X-ray diffraction methods lose their power when only polycrystalline and nanocrystalline samples are available. It is here that powder diffraction and single-crystal electron diffraction techniques take over, substantially extending the range of applicability of the crystallographic principles of structure determination. This volume, a collection of teaching contributions presented at the Crystallographic Course in Erice in 2011, clearly describes the fundamentals and the state-of-the-art of powder diffraction and electron diffraction methods in materials characterisation, encompassing a diverse range of disciplines and materials stretching from archeometry to zeolites. As such, it is a comprehensive and valuable resource for those wishing to gain an understanding of the broad applicability of these two rapidly developing fields.
Download or read book Organic Molecular Solids written by William Jones and published by CRC Press. This book was released on 2019-09-17 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt: Interest in organic molecular solids extends to a range of fields including chemistry, physics, electrical engineering, and materials science. In chemistry, it applies to such topics as solid state reactivity, crystal engineering, theoretical approaches to crystal structure determination, and morphology control. In physics, electrical engineering, and materials science, the possibility of producing organic-based materials (such as crystals, polymers, thin films, or liquid crystals) with potential electronic, opto-electronic, and magnetic uses is a major area of current research interest throughout the world. Organic Molecular Solids examines the uses of organic-based materials over a wide range of applications and interests. Each chapter surveys a relevant topic, providing appropriate introductory background information and modern developments.
Download or read book X Ray Diffraction by Polycrystalline Materials written by René Guinebretière and published by John Wiley & Sons. This book was released on 2013-03-01 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a physical approach to the diffraction phenomenon and its applications in materials science. An historical background to the discovery of X-ray diffraction is first outlined. Next, Part 1 gives a description of the physical phenomenon of X-ray diffraction on perfect and imperfect crystals. Part 2 then provides a detailed analysis of the instruments used for the characterization of powdered materials or thin films. The description of the processing of measured signals and their results is also covered, as are recent developments relating to quantitative microstructural analysis of powders or epitaxial thin films on the basis of X-ray diffraction. Given the comprehensive coverage offered by this title, anyone involved in the field of X-ray diffraction and its applications will find this of great use.
Download or read book Macromolecular Crystallization and Crystal Perfection written by Naomi E Chayen and published by Oxford University Press (UK). This book was released on 2010-03-25 with total page 234 pages. Available in PDF, EPUB and Kindle. Book excerpt: Structural biology is key to our understanding of the mechanisms of biological processes. This book describes current methods and future frontiers in crystal growth and use of X-ray and Neutron crystallography, in the context of the very successful current automation of crystallization and generation of synchrotron X-ray and neutron beams.
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 430 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.
Download or read book NMR Crystallography written by Robin K. Harris and published by John Wiley & Sons. This book was released on 2012-12-19 with total page 523 pages. Available in PDF, EPUB and Kindle. Book excerpt: The content of this volume has been added to eMagRes (formerly Encyclopedia of Magnetic Resonance) - the ultimate online resource for NMR and MRI. The term "NMR Crystallography" has only recently come into common usage, and even now causes raised eyebrows within some parts of the diffraction community. The power of solid-state NMR to give crystallographic information has considerably increased since the CPMAS suite of techniques was introduced in 1976. In the first years of the 21st century, the ability of NMR to provide information to support and facilitate the analysis of single-crystal and powder diffraction patterns has become widely accepted. Indeed, NMR can now be used to refine diffraction results and, in favorable cases, to solve crystal structures with minimal (or even no) diffraction data. The increasing ability to relate chemical shifts (including the tensor components) to the crystallographic location of relevant atoms in the unit cell via computational methods has added significantly to the practice of NMR crystallography. Diffraction experts will increasingly welcome NMR as an allied technique in their structural analyses. Indeed, it may be that in the future crystal structures will be determined by simultaneously fitting diffraction patterns and NMR spectra. This Handbook is organised into six sections. The first contains an overview and some articles on fundamental NMR topics, followed by a section concentrating on chemical shifts, and one on coupling interactions. The fourth section contains articles describing how NMR results relate to fundamental crystallography concepts and to diffraction methods. The fifth section concerns specific aspects of structure, such as hydrogen bonding. Finally, four articles in the sixth section give applications of NMR crystallography to structural biology, organic & pharmaceutical chemistry, inorganic & materials chemistry, and geochemistry. About EMR Handbooks / eMagRes Handbooks The Encyclopedia of Magnetic Resonance (up to 2012) and eMagRes (from 2013 onward) publish a wide range of online articles on all aspects of magnetic resonance in physics, chemistry, biology and medicine. The existence of this large number of articles, written by experts in various fields, is enabling the publication of a series of EMR Handbooks / eMagRes Handbooks on specific areas of NMR and MRI. The chapters of each of these handbooks will comprise a carefully chosen selection of articles from eMagRes. In consultation with the eMagRes Editorial Board, the EMR Handbooks / eMagRes Handbooks are coherently planned in advance by specially-selected Editors, and new articles are written (together with updates of some already existing articles) to give appropriate complete coverage. The handbooks are intended to be of value and interest to research students, postdoctoral fellows and other researchers learning about the scientific area in question and undertaking relevant experiments, whether in academia or industry. Have the content of this Handbook and the complete content of eMagRes at your fingertips! Visit: www.wileyonlinelibrary.com/ref/eMagRes View other eMagRes publications here
Download or read book Applications of Evolutionary Computation in Chemistry written by H.M. Cartwright and published by Springer Science & Business Media. This book was released on 2004-03-12 with total page 204 pages. Available in PDF, EPUB and Kindle. Book excerpt: H. M. Cartwright: An Introduction to Evolutionary Computation andEvolutionary Algorithms; B. Hartke: Application of Evolutionary Algorithms to Global Cluster Geometry Optimization; K.D.M. Harris, R.L. Johnston, S. Habershon: Application of Evolutionary Computation in Structure Solution from Diffraction Data; S. M.
Download or read book Handbook of Analytical Techniques in Concrete Science and Technology written by V.S. Ramachandran and published by Elsevier. This book was released on 2000-11-01 with total page 995 pages. Available in PDF, EPUB and Kindle. Book excerpt: Measuring the long-term durability of new types of concrete and concrete technologies is crucial to their acceptance in the marketplace. This long-needed handbook of analytical techniques provides a complete reference to the cutting-edge procedures used to test today's innovative materials. Ranging from chemical and thermal analysis, to IR and Nuclear Magnetic Resonance spectroscopy, to Scanning Electron Microscopy, x-ray diffraction, computer modeling and more, the book provides first-hand explanations of modern methodsùcontributed by 24 leading scientists, many of whom actually developed or refined the techniques. The book includes many analytic techniques, applied to a wide range of organic, inorganic and composite materials and additives.Perfect for practitioners, students, and professional standards writers, the handbook is highly useful for scrutinizing materials in a variety of environments. It takes into account the many factors that affect the qualities of concreteùtemperature, pore and pore-size distribution, surface area, and exposureùgathering diverse evaluation methods into one convenient resource.
