Some Aspects of the Application of Direct Methods in X-ray Crystallography

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ISBN 13 :
Total Pages : 53 pages
Book Rating : 4.:/5 (18 download)

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Book Synopsis Some Aspects of the Application of Direct Methods in X-ray Crystallography by : Anthony Louis Spek

Download or read book Some Aspects of the Application of Direct Methods in X-ray Crystallography written by Anthony Louis Spek and published by . This book was released on 1975 with total page 53 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Some Aspects and Results of the Application of Direct Methods in X-ray Crystallography

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ISBN 13 :
Total Pages : 43 pages
Book Rating : 4.:/5 (256 download)

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Book Synopsis Some Aspects and Results of the Application of Direct Methods in X-ray Crystallography by : Anthony Louis Spek

Download or read book Some Aspects and Results of the Application of Direct Methods in X-ray Crystallography written by Anthony Louis Spek and published by . This book was released on 1975 with total page 43 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Some Aspects and Results of the Application of Direct Methods in X-ray Crystallography: Proefschrift

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ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (91 download)

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Book Synopsis Some Aspects and Results of the Application of Direct Methods in X-ray Crystallography: Proefschrift by : Anthony Louis Spek

Download or read book Some Aspects and Results of the Application of Direct Methods in X-ray Crystallography: Proefschrift written by Anthony Louis Spek and published by . This book was released on 1975 with total page 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 : 146143954X
Total Pages : 784 pages
Book Rating : 4.4/5 (614 download)

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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.

Theory and Practice of Direct Methods in Crystallography

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Publisher : Springer Science & Business Media
ISBN 13 : 1461329795
Total Pages : 432 pages
Book Rating : 4.4/5 (613 download)

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Book Synopsis Theory and Practice of Direct Methods in Crystallography by : M. F. C. Ladd

Download or read book Theory and Practice of Direct Methods in 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 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: Direct methods of crystal structure determination are usually associated with techniques in which phases for a set of structure factors are determined from the corresponding experimental amplitudes by probabilistic calcula tions. It is thus implied that such ab initio phase calculations do not require a knowledge of atomic positions, and this basis distinguishes direct methods from other techniques for structure determination. An acceptably wider interpretation of the term direct methods leads to other important applica tions involving, inter alia, the use of heavy atoms, resolution-limited phase data for large molecules, rotation functions, and Fourier series. These topics are discussed in the later chapters of this book. Although some earlier theoretical investigations were made by Harker and Kaspar, direct methods may be considered to have begun around the year 1950. Important landmarks in the development of the subject include the book by Hauptmann and Karle, The Centrosymmetric Crystal (1953), the definitive paper by Karle and Karle in Acta Crystallographica (1966), and the recent (1978) sophisticated program package MULTAN 78 produced mainly by Germain, Main, and Woolfson. Woolfson's book, Direct Methods in Crystallography, was published in 1961, but because of the rapid progress in direct methods, much of it soon became outmoded. It is interesting to note that direct methods nearly came into being many years earlier. Certainly the E2 relationship was used implicitly by Lonsdale in 1928 in determining the crystal structure of hexamethylbenzene.

X-Ray Diffraction Crystallography

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Publisher : Springer Science & Business Media
ISBN 13 : 3642166350
Total Pages : 320 pages
Book Rating : 4.6/5 (421 download)

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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.

Modern X-Ray Analysis on Single Crystals

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Publisher : Walter de Gruyter
ISBN 13 : 3110370611
Total Pages : 370 pages
Book Rating : 4.1/5 (13 download)

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Book Synopsis Modern X-Ray Analysis on Single Crystals by : Peter Luger

Download or read book Modern X-Ray Analysis on Single Crystals written by Peter Luger and published by Walter de Gruyter. This book was released on 2014-04-01 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: An excellent book for professional crystallographers! In 2012 the crystallographic community celebrated 100 years of X-ray diffraction in honour of the pioneering experiment in 1912 by Max von Laue, Friedrich and Knipping. Experimental developments e.g. brilliant X-ray sources, area detection, and developments in computer hardware and software have led to increasing applications in X-ray analysis. This completely revised edition is a guide for practical work in X-ray analysis. An introduction to basic crystallography moves quickly to a practical and experimental treatment of structure analysis. Emphasis is placed on understanding results and avoiding pitfalls. Essential reading for researchers from the student to the professional level interested in understanding the structure of molecules.

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.

An Introduction to Direct Methods

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ISBN 13 : 9780906449714
Total Pages : 22 pages
Book Rating : 4.4/5 (497 download)

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Book Synopsis An Introduction to Direct Methods by : Hendrik Schenk

Download or read book An Introduction to Direct Methods written by Hendrik Schenk and published by . This book was released on 1984 with total page 22 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Direct Phasing in Crystallography

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Publisher : Oxford University Press on Demand
ISBN 13 : 9780198500728
Total Pages : 767 pages
Book Rating : 4.5/5 (7 download)

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Book Synopsis Direct Phasing in Crystallography by : Carmelo Giacovazzo

Download or read book Direct Phasing in Crystallography written by Carmelo Giacovazzo and published by Oxford University Press on Demand. This book was released on 1998 with total page 767 pages. Available in PDF, EPUB and Kindle. Book excerpt: Direct methods are, at present, applied to a large variety of cases: X-ray, neutron or electron data; single crystal and powder data; small molecules and macromolecules. While direct methods solved in practice the phase problem for small molecules, their application to macromolecules is recentand still undergoing strong development. The fundamentals of the methods are described: in particular it is shown how the methods can be optimized for powder, neutron or electron data, and how they can be integrated with isomorphous replacement, molecular replacement and anomalous dispersiontechniques. Maximum Entropy methods are also described and discussed. Sets of test structures are used to verify, throughout the various chapters, the mathematical techniques there described and to provide practical examples of applications. This book will appeal to a wide variety of readers -offering both a comprehensive description of direct methods in crystallography and an invaluable reference tool. The first three chapters can be considered as an introduction to the field, with sufficient material to constitute a university course and for allowing the expert use of most directmethods programs. Subsequent chapters are aimed at graduate students and working crystallographers. Basic results are described and discussed in the main body of the text, while the appendices compliment these with in depth mathematical details. The quoted literature is extremely wide and theinterested reader can find suggestions for future work and further reading throughout the book.

International Tables for Crystallography, Volume B

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Publisher : Springer Science & Business Media
ISBN 13 : 9781402082054
Total Pages : 704 pages
Book Rating : 4.0/5 (82 download)

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Book Synopsis International Tables for Crystallography, Volume B by : Uri Shmueli

Download or read book International Tables for Crystallography, Volume B written by Uri Shmueli and published by Springer Science & Business Media. This book was released on 2008-08-27 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt: International Tables for Crystallography are no longer available for purchase from Springer. For further information please contact Wiley Inc. (follow the link on the right hand side of this page). Volume B presents accounts of the numerous aspects of reciprocal space in crystallographic research. After an introductory chapter, Part 1 presents the reader with an account of structure-factor formalisms, an extensive treatment of the theory, algorithms and crystallographic applications of Fourier methods, and fundamental as well as advanced treatments of symmetry in reciprocal space. In Part 2, these general accounts are followed by detailed expositions of crystallographic statistics, the theory of direct methods, Patterson techniques, isomorphous replacement and anomalous scattering, and treatments of the role of electron microscopy and diffraction in crystal structure determination, including applications of direct methods to electron crystallography. Part 3 deals with applications of reciprocal space to molecular geometry and `best'-plane calculations, and contains a treatment of the principles of molecular graphics and modelling and their applications. A convergence-acceleration method of importance in the computation of approximate lattice sums is presented and the part concludes with a discussion of the Ewald method. Part 4 contains treatments of various diffuse-scattering phenomena arising from crystal dynamics, disorder and low dimensionality (liquid crystals), and an exposition of the underlying theories and/or experimental evidence. Polymer crystallography and reciprocal-space images of aperiodic crystals are also treated. Part 5 of the volume contains introductory treatments of the theory of the interaction of radiation with matter (dynamical theory) as applied to X-ray, electron and neutron diffraction techniques. The simplified trigonometric expressions for the structure factors in the 230 three-dimensional space groups, which appeared in Volume I of International Tables for X-ray Crystallography, are now given in Appendix 1.4.3 to Chapter 1.4 of this volume. Volume B is a vital addition to the library of scientists engaged in crystal structure determination, crystallographic computing, crystal physics and other fields of crystallographic research. Graduate students specializing in crystallography will find much material suitable for self-study and a rich source of references to the relevant literature.

Direct Methods in X-ray Structure Analysis

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

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Book Synopsis Direct Methods in X-ray Structure Analysis by : Theodoor Eric Maria van den Hark

Download or read book Direct Methods in X-ray Structure Analysis written by Theodoor Eric Maria van den Hark and published by . This book was released on 1976 with total page 160 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Uniting Electron Crystallography and Powder Diffraction

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Publisher : Springer
ISBN 13 : 9400755805
Total Pages : 427 pages
Book Rating : 4.4/5 (7 download)

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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.

An Introduction to X-ray Crystallography

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Publisher : Cambridge University Press
ISBN 13 : 9780521412711
Total Pages : 414 pages
Book Rating : 4.4/5 (127 download)

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Book Synopsis An Introduction to X-ray Crystallography by : Michael M. Woolfson

Download or read book An Introduction to X-ray Crystallography written by Michael M. Woolfson and published by Cambridge University Press. This book was released on 1997-01-13 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt: A textbook for the senior undergraduate or graduate student beginning a serious study of X-ray crystallography. It will be of interest both to those intending to become professional crystallographers and to those physicists, chemists, biologists, geologists, metallurgists and others who will use it as a tool in their research. All major aspects of crystallography are covered--the geometry of crystals and their symmetry, theoretical and practical aspects of diffracting X-rays by crystals and how the data may be analyzed to find the symmetry of the crystal and its structure. Includes recent advances such as the synchrotron as a source of X-rays, methods of solving structures from power data and the full range of techniques for solving structures from single-crystal data. Computer programs are provided for carrying out many operations of data-processing and solving crystal structures including by direct methods. These programs are required for many of the examples given at the end of each chapter but can be used to create new examples by which students can test themselves or each other.

Principles of Protein X-ray Crystallography

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Publisher : Springer Science & Business Media
ISBN 13 : 1475730926
Total Pages : 355 pages
Book Rating : 4.4/5 (757 download)

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Book Synopsis Principles of Protein X-ray Crystallography by : Jan Drenth

Download or read book Principles of Protein X-ray Crystallography written by Jan Drenth and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 355 pages. Available in PDF, EPUB and Kindle. Book excerpt: New textbooks at all levels of chemistry appear with great regularity. Some fields such as basic biochemistry, organic reaction mechanisms, and chemical thermodynamics are well represented by many excellent texts, and new or revised editions are published sufficiently often to keep up with progress in research. However, some areas of chemistry, especially many of those taught at the graduate level, suffer from a real lack of up to-date textbooks. The most serious needs occur in fields that are rapidly changing. Textbooks in these subjects usually have to be written by scientists actually involved in the research that is advancing the field. It is not often easy to persuade such individuals to set time aside to help spread the knowledge they have accumulated. Our goal, in this series, is to pinpoint areas of chemistry where recent progress has outpaced what is covered in any available textbooks, and then seek out and persuade experts in these fields to produce relatively concise but instructive intro ductions to their fields. These should serve the needs of one-semester or one-quarter graduate courses in chemistry and biochemistry. In some cases, the availability of texts in active research areas should help stimulate the creation of new courses. Charles R. Cantor v Preface to the Second Edition Since the publication of the previous edition in 1994, X-ray crystallography of proteins has advanced by improvements in existing techniques and by addition of new techniques.

Solutions And X-ray Non-3d Phase Structure Analysis Of Soft Matter

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Publisher : World Scientific
ISBN 13 : 9811272433
Total Pages : 279 pages
Book Rating : 4.8/5 (112 download)

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Book Synopsis Solutions And X-ray Non-3d Phase Structure Analysis Of Soft Matter by : Kazuchika Ohta

Download or read book Solutions And X-ray Non-3d Phase Structure Analysis Of Soft Matter written by Kazuchika Ohta and published by World Scientific. This book was released on 2023-09-21 with total page 279 pages. Available in PDF, EPUB and Kindle. Book excerpt: Physics and Chemistry of Molecular AssembliesMost researchers would relate X-ray structure analysis to crystal structure analysis. A crystal is a state in which atoms or molecules are regularly arranged in three-dimensional space. However, some substances do not have 3D structures, but have 1D, 2D, 1D⊕1D, 2D⊕1D or 1D⊕1D⊕1D structures. Here the symbol ⊕ stands for direct sum in linear algebra and is different from ordinary sum +. For example, 2D⊕1D means the direct sum of a 2D subspace and an orthogonal 1D subspace, not 3D.In a previous book, Physics and Chemistry of Molecular Assemblies, published in April 2020, the author showed for the first time that molecular assemblies can be represented in a unified manner from such subspaces of linear algebra, and wrote the theory and method of X-ray structure analysis of the liquid crystal phase structures with the dimensional structure of 1D, 2D, 1D⊕1D, 2D⊕1D, and 1D⊕1D⊕1D. Furthermore, the X-ray liquid crystal structure analysis methods of 11 representative examples were concretely described. In addition, 110 X-ray data were posted as the end-of-chapter problems in Chapter 3.Using the methods developed by the author, these 110 problems can be solved in principle with a calculator, graph paper, a ruler, and a compass, although it takes time. However, when you use only a calculator, a graph paper, a ruler or a compass, it would probably take more than one year to analyze all the observed X-ray data in Chapter 3. Therefore, the author's research group has developed a computer program named 'Bunseki-kun.' By using this program, we can easily analyze the liquid crystal phase structures from the observed d spacings. Thus, when you use this program, you will be able to analyze the liquid crystal phase and other soft matter phase structures within 1/100th to 1/1000th of the time. Those who purchase this book will be able to freely download this program from the following URL set by the publisher.

The Powder Method in X-ray Crystallography

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Publisher :
ISBN 13 :
Total Pages : 370 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis The Powder Method in X-ray Crystallography by : Leonid V. Azároff

Download or read book The Powder Method in X-ray Crystallography written by Leonid V. Azároff and published by . This book was released on 1958 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: Elementary x-ray diffraction theory -- Principles of powder photography -- The design and alignment of powder cameras -- Procedures for taking powder photographs -- Relation of spacings to cell geometry -- Interpretation of powder photographs -- Analytical methods for indexing powder photographs -- The reciprocal lattice -- Indexing powder photographs with the aid of the reciprocal lattice -- Reduced cells and their application -- Homogeneous axes and the Delaunay reduction -- Identification of substances by the powder method -- The sources of error in measured spacings -- The practice of attaining accuracy -- Appearance of powder photographs.