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Novel Methods Of Structure Determination From X Ray Powder Diffraction Data
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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 Structure Determination from Powder Diffraction Data by : William I. F. David
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.
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 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.
Book Synopsis X-Ray Diffraction Crystallography by : Yoshio Waseda
Download or read book X-Ray Diffraction Crystallography written by Yoshio Waseda and published by Springer Science & Business Media. This book was released on 2011-03-18 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: X-ray diffraction crystallography for powder samples is a well-established and widely used method. It is applied to materials characterization to reveal the atomic scale structure of various substances in a variety of states. The book deals with fundamental properties of X-rays, geometry analysis of crystals, X-ray scattering and diffraction in polycrystalline samples and its application to the determination of the crystal structure. The reciprocal lattice and integrated diffraction intensity from crystals and symmetry analysis of crystals are explained. To learn the method of X-ray diffraction crystallography well and to be able to cope with the given subject, a certain number of exercises is presented in the book to calculate specific values for typical examples. This is particularly important for beginners in X-ray diffraction crystallography. One aim of this book is to offer guidance to solving the problems of 90 typical substances. For further convenience, 100 supplementary exercises are also provided with solutions. Some essential points with basic equations are summarized in each chapter, together with some relevant physical constants and the atomic scattering factors of the elements.
Book Synopsis X-Ray Diffraction by : C. Suryanarayana
Download or read book X-Ray Diffraction written by C. Suryanarayana and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 275 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this, the only book available to combine both theoretical and practical aspects of x-ray diffraction, the authors emphasize a "hands on" approach through experiments and examples based on actual laboratory data. Part I presents the basics of x-ray diffraction and explains its use in obtaining structural and chemical information. In Part II, eight experimental modules enable the students to gain an appreciation for what information can be obtained by x-ray diffraction and how to interpret it. Examples from all classes of materials -- metals, ceramics, semiconductors, and polymers -- are included. Diffraction patterns and Bragg angles are provided for students without diffractometers. 192 illustrations.
Book Synopsis Modern Diffraction Methods by : E. J. Mittemeijer
Download or read book Modern Diffraction Methods written by E. J. Mittemeijer and published by John Wiley & Sons. This book was released on 2013-02-04 with total page 563 pages. Available in PDF, EPUB and Kindle. Book excerpt: The role of diffraction methods for the solid-state sciences has been pivotal to determining the (micro)structure of a material. Particularly, the expanding activities in materials science have led to the development of new methods for analysis by diffraction. This book offers an authoritative overview of the new developments in the field of analysis of matter by (in particular X-ray, electron and neutron) diffraction. It is composed of chapters written by leading experts on 'modern diffraction methods'. The focus in the various chapters of this book is on the current forefront of research on and applications for diffraction methods. This unique book provides descriptions of the 'state of the art' and, at the same time, identifies avenues for future research. The book assumes only a basic knowledge of solid-state physics and allows the application of the described methods by the readers of the book (either graduate students or mature scientists).
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 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:
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.
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:
Book Synopsis Structures and Structure Determination by : Hellmut G. Karge
Download or read book Structures and Structure Determination written by Hellmut G. Karge and published by Springer. This book was released on 2003-07-01 with total page 225 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular Sieves - Science and Technology will cover, in a comprehensive manner, the science and technology of zeolites and all related microporous and mesoporous materials. Authored by renowned experts, the contributions will be grouped together topically in such a way that each volume of the book series will be dealing with a specific sub-field. Volume 2 covers both the description of the various, complementary techniques for structure determination of microporous and mesoporous matter and their applications illustrated by a large number of pertinent examples. It also deals with general aspects of structures and structure distortions of microporous materials. In summary, Volume 2 provides the researchers in the field of zeolites and related materials with the indispensable knowledge of the great potential of modern methods for structure analysis.
Book Synopsis Structure Determination by X-ray Crystallography by : Mark Ladd
Download or read book Structure Determination by X-ray Crystallography written by Mark Ladd and published by Springer Science & Business Media. This book was released on 2014-07-08 with total page 784 pages. Available in PDF, EPUB and Kindle. Book excerpt: The advances in and applications of x-ray and neutron crystallography form the essence of this new edition of this classic textbook, while maintaining the overall plan of the book that has been well received in the academic community since the first edition in 1977. X-ray crystallography is a universal tool for studying molecular structure, and the complementary nature of neutron diffraction crystallography permits the location of atomic species in crystals which are not easily revealed by X-ray techniques alone, such as hydrogen atoms or other light atoms in the presence of heavier atoms. Thus, a chapter discussing the practice of neutron diffraction techniques, with examples, broadens the scope of the text in a highly desirable way. As with previous editions, the book contains problems to illustrate the work of each chapter, and detailed solutions are provided. Mathematical procedures related to the material of the main body of the book are not discussed in detail, but are quoted where needed with references to standard mathematical texts. To address the computational aspect of crystallography, the suite of computer programs from the fourth edition has been revised and expanded. The programs enable the reader to participate fully in many of the aspects of x-ray crystallography discussed in the book. In particular, the program system XRAY* is interactive, and enables the reader to follow through, at the monitor screen, the computational techniques involved in single-crystal structure determination, albeit in two dimensions, with the data sets provided. Exercises for students can be found in the book, and solutions are available to instructors.
Book Synopsis Pharmaceutical Crystallography by : Andrew Bond
Download or read book Pharmaceutical Crystallography written by Andrew Bond and published by Royal Society of Chemistry. This book was released on 2019-07-24 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: The pharmaceutical industry has become acutely aware of the importance of the solid state, but pharmaceutical scientists often lack specific training in topics related to solid-state structure and crystallography. This book provides needed support in this topical area. Taking an intuitive and informal approach to solid-state structure and crystallographic concepts, this book is written for anyone who needs a clear understanding of modern crystallography, with specific reference to small-molecule pharmaceutical solids. The author describes molecular crystals and crystal structures, symmetry, space groups, single-crystal and powder X-ray diffraction techniques and the analysis and interpretation of crystallographic data. Useful technical details are presented where necessary and case studies from the pharmaceutical literature put theory into a practical context. Written by an internationally leading figure and with its focus on molecular crystals, this book is equally applicable to chemists with a need to understand and apply X-ray crystal-structure determination.
Book Synopsis Elements of X-Ray Diffraction by : Bernard D. Cullity
Download or read book Elements of X-Ray Diffraction written by Bernard D. Cullity and published by Pearson. This book was released on 2013-11-01 with total page 656 pages. Available in PDF, EPUB and Kindle. Book excerpt: Designed for Junior/Senior undergraduate courses. This revision of a classical text is intended to acquaint the reader, who has no prior knowledge of the subject, with the theory of x-ray diffraction, the experimental methods involved, and the main applications. The text is a collection of principles and methods designed directly for the student and not a reference tool for the advanced reader
Book Synopsis Pharmaceutical Crystals by : Tong Li
Download or read book Pharmaceutical Crystals written by Tong Li and published by John Wiley & Sons. This book was released on 2018-10-16 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: An important resource that puts the focus on understanding and handling of organic crystals in drug development Since a majority of pharmaceutical solid-state materials are organic crystals, their handling and processing are critical aspects of drug development. Pharmaceutical Crystals: Science and Engineering offers an introduction to and thorough coverage of organic crystals, and explores the essential role they play in drug development and manufacturing. Written contributions from leading researchers and practitioners in the field, this vital resource provides the fundamental knowledge and explains the connection between pharmaceutically relevant properties and the structure of a crystal. Comprehensive in scope, the text covers a range of topics including: crystallization, molecular interactions, polymorphism, analytical methods, processing, and chemical stability. The authors clearly show how to find solutions for pharmaceutical form selection and crystallization processes. Designed to be an accessible guide, this book represents a valuable resource for improving the drug development process of small drug molecules. This important text: Includes the most important aspects of solid-state organic chemistry and its role in drug development Offers solutions for pharmaceutical form selection and crystallization processes Contains a balance between the scientific fundamental and pharmaceutical applications Presents coverage of crystallography, molecular interactions, polymorphism, analytical methods, processing, and chemical stability Written for both practicing pharmaceutical scientists, engineers, and senior undergraduate and graduate students studying pharmaceutical solid-state materials, Pharmaceutical Crystals: Science and Engineering is a reference and textbook for understanding, producing, analyzing, and designing organic crystals which is an imperative skill to master for anyone working in the field.
Book Synopsis An Assessment of the National Institute of Standards and Technology Materials Science and Engineering Laboratory by : National Research Council
Download or read book An Assessment of the National Institute of Standards and Technology Materials Science and Engineering Laboratory written by National Research Council and published by National Academies Press. This book was released on 2010-10-27 with total page 63 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Materials Science and Engineering Laboratory (MSEL) of the National Institute of Standards and Technology (NIST) works with industry, standards bodies, universities, and other government laboratories to improve the nation's measurements and standards infrastructure for materials. A panel of experts appointed by the National Research Council (NRC) assessed the four divisions of MSEL, by visiting these divisions and reviewing their activities.