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Enhancing And Accelerating Computational Methods Of Crystal Structure Determination From Powder Diffraction Data
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Book Synopsis Enhancing and Accelerating Computational Methods of Crystal Structure Determination from Powder Diffraction Data by : Mark Spillman
Download or read book Enhancing and Accelerating Computational Methods of Crystal Structure Determination from Powder Diffraction Data written by Mark Spillman and published by . This book was released on 2015 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Structure Determination from Powder Diffraction Data by : W. I. F. David
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.
Book Synopsis Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition by : Vitalij Pecharsky
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 .
Book Synopsis Crystal Structure Determination and Prediction of Simple Organic Molecules, Using Powder Diffraction Methods, and Modern Computational Techniques by : Harcharn S.. Chana
Download or read book Crystal Structure Determination and Prediction of Simple Organic Molecules, Using Powder Diffraction Methods, and Modern Computational Techniques written by Harcharn S.. Chana and published by . This book was released on 2006 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Crystal Structure Determination and Prediction of Simple Organic Molecules, Using Powder Diffraction Methods, and Modern Computational Techniques by : Harcharn S. Chana
Download or read book Crystal Structure Determination and Prediction of Simple Organic Molecules, Using Powder Diffraction Methods, and Modern Computational Techniques written by Harcharn S. Chana and published by . This book was released on 2006 with total page 0 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 Fundamentals of Powder Diffraction and Structural Characterization of Materials by : Vitalij Pecharsky
Download or read book Fundamentals of Powder Diffraction and Structural Characterization of Materials written by Vitalij Pecharsky and published by Springer Science & Business Media. This book was released on 2003-05-31 with total page 752 pages. Available in PDF, EPUB and Kindle. Book excerpt: Requires no prior knowledge of the subject, but is comprehensive and detailed making it useful for both the novice and experienced user of the powder diffraction method. Useful for any scientific or engineering background, where precise structural information is required. Comprehensively describes the state-of-the-art in structure determination from powder diffraction data both theoretically and practically using multiple examples of varying complexity. Pays particular attention to the utilization of Internet resources, especially the well-tested and freely available computer codes designed for processing of powder diffraction data.
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 Development and Optimization of Computational Techniques for Crystal Structure Determination from Powder Defraction Data by :
Download or read book Development and Optimization of Computational Techniques for Crystal Structure Determination from Powder Defraction Data written by and published by . This book was released on 2005 with total page 576 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Powder Diffraction by : R E Dinnebier
Download or read book Powder Diffraction written by R E Dinnebier and published by Royal Society of Chemistry. This book was released on 2015-11-09 with total page 525 pages. Available in PDF, EPUB and Kindle. Book excerpt: Powder diffraction is a widely used scientific technique in the characterization of materials with broad application in materials science, chemistry, physics, geology, pharmacology and archaeology. Powder Diffraction: Theory and Practice provides an advanced introductory text about modern methods and applications of powder diffraction in research and industry. The authors begin with a brief overview of the basic theory of diffraction from crystals and powders. Data collection strategies are described including x-ray, neutron and electron diffraction setups using modern day apparatus including synchrotron sources. Data corrections, essential for quantitative analysis are covered before the authors conclude with a discussion of the analysis methods themselves. The information is presented in a way that facilitates understanding the information content of the data, as well as best practices for collecting and analyzing data for quantitative analysis. This long awaited book condenses the knowledge of renowned experts in the field into a single, authoritative, overview of the application of powder diffraction in modern materials research. The book contains essential theory and introductory material for students and researchers wishing to learn how to apply the frontier methods of powder diffraction
Book Synopsis Crystal Structure Determination from Powder Diffraction by : Abraham Clearfield
Download or read book Crystal Structure Determination from Powder Diffraction written by Abraham Clearfield and published by . This book was released on 2002 with total page 160 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Uniting Electron Crystallography and Powder Diffraction by : Ute Kolb
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.
Book Synopsis Enhanced Structure Determination from Powder Diffraction Data Via Algorithm Optimisation and the Use of Conformational Information by : Elena Atanasova Kabova
Download or read book Enhanced Structure Determination from Powder Diffraction Data Via Algorithm Optimisation and the Use of Conformational Information written by Elena Atanasova Kabova and published by . This book was released on 2016 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Enhanced Structure Determination from Powder Diffraction Data Via Algorithm Optimisation and the Use of Conformational Information by : Elena A. Kabova
Download or read book Enhanced Structure Determination from Powder Diffraction Data Via Algorithm Optimisation and the Use of Conformational Information written by Elena A. Kabova and published by . This book was released on 2016 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis An AB INITIO Approach to Crystal Structure Determination Using High Resolution Powder Diffraction and Computational Chemistry Techniques by : P. G. Fagan
Download or read book An AB INITIO Approach to Crystal Structure Determination Using High Resolution Powder Diffraction and Computational Chemistry Techniques written by P. G. Fagan and published by . This book was released on 1993 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Development of Novel Evolutionary Algorithms for Crystal Structure Determination from Powder Diffraction Data by : Samantha Yu-Ling Chong
Download or read book Development of Novel Evolutionary Algorithms for Crystal Structure Determination from Powder Diffraction Data written by Samantha Yu-Ling Chong and published by . This book was released on 2006 with total page 257 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Crystal Structure Analysis by : Alexander J Blake
Download or read book Crystal Structure Analysis written by Alexander J Blake and published by International Union of Crystal. This book was released on 2009-06-18 with total page 416 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.
