Development and Optimization of Computational Techniques for Crystal Structure Determination from Powder Defraction Data

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ISBN 13 :
Total Pages : 576 pages
Book Rating : 4.:/5 (911 download)

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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:

Structure Determination from Powder Diffraction Data

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Publisher : OUP Oxford
ISBN 13 : 0191525561
Total Pages : 358 pages
Book Rating : 4.1/5 (915 download)

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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.

Enhancing and Accelerating Computational Methods of Crystal Structure Determination from Powder Diffraction Data

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ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (111 download)

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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:

Crystal Structure Determination and Prediction of Simple Organic Molecules, Using Powder Diffraction Methods, and Modern Computational Techniques

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ISBN 13 :
Total Pages : 250 pages
Book Rating : 4.:/5 (911 download)

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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:

Powder Diffraction

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Publisher : Springer Science & Business Media
ISBN 13 : 3540279865
Total Pages : 232 pages
Book Rating : 4.5/5 (42 download)

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Book Synopsis Powder Diffraction by : Georg Will

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.

Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition

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Publisher : Springer Science & Business Media
ISBN 13 : 0387095799
Total Pages : 751 pages
Book Rating : 4.3/5 (87 download)

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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 .

Crystal Structure Determination and Prediction of Simple Organic Molecules, Using Powder Diffraction Methods, and Modern Computational Techniques

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ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (118 download)

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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:

Development of Novel Evolutionary Algorithms for Crystal Structure Determination from Powder Diffraction Data

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ISBN 13 :
Total Pages : 257 pages
Book Rating : 4.:/5 (911 download)

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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:

Fundamentals of Powder Diffraction and Structural Characterization of Materials

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Publisher : Springer Science & Business Media
ISBN 13 : 9781402073656
Total Pages : 752 pages
Book Rating : 4.0/5 (736 download)

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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.

Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition

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Publisher : Springer Science & Business Media
ISBN 13 : 0387095780
Total Pages : 751 pages
Book Rating : 4.3/5 (87 download)

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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 2008-11-26 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 .

Crystal Structure Determination from Powder Diffraction

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Publisher :
ISBN 13 :
Total Pages : 160 pages
Book Rating : 4.3/5 (91 download)

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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:

Structure Determination by X-Ray Crystallography

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Publisher : Springer Science & Business Media
ISBN 13 : 1461579333
Total Pages : 404 pages
Book Rating : 4.4/5 (615 download)

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Book Synopsis Structure Determination by X-Ray Crystallography by : M. F. C. Ladd

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.

Theory of XRF : getting acquainted with the principles

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Publisher :
ISBN 13 : 9789090167589
Total Pages : 71 pages
Book Rating : 4.1/5 (675 download)

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Book Synopsis Theory of XRF : getting acquainted with the principles by : Peter Brouwer

Download or read book Theory of XRF : getting acquainted with the principles written by Peter Brouwer and published by . This book was released on 2006 with total page 71 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Powder Diffraction

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Publisher : Royal Society of Chemistry
ISBN 13 : 1782625992
Total Pages : 525 pages
Book Rating : 4.7/5 (826 download)

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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

An AB INITIO Approach to Crystal Structure Determination Using High Resolution Powder Diffraction and Computational Chemistry Techniques

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ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (316 download)

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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:

An Ab Inito Approach to Crystal Structure Determination Using High Resolution Powder Diffraction and Computational Chemistry Techniques

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ISBN 13 :
Total Pages : pages
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Book Synopsis An Ab Inito Approach to Crystal Structure Determination Using High Resolution Powder Diffraction and Computational Chemistry Techniques by : P. G. Fagan

Download or read book An Ab Inito 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:

NMR Crystallography

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Publisher : John Wiley & Sons
ISBN 13 : 1118587324
Total Pages : 523 pages
Book Rating : 4.1/5 (185 download)

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Book Synopsis NMR Crystallography by : Robin K. Harris

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