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Author: Uri Shmueli
Publisher: Oxford University Press
ISBN: 9780199213504
Category : Language Arts & Disciplines
Languages : en
Pages : 283
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Book Description
The book is a detailed but concise exposition of crystal structure determination at a graduate level. Discussions range from geometrical principles of crystallography, through relevant experimental methods, to techniques of reliable and accurate determination of crystal structures.
Author: Uri Shmueli
Publisher: Oxford University Press
ISBN: 9780199213504
Category : Language Arts & Disciplines
Languages : en
Pages : 283
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Book Description
The book is a detailed but concise exposition of crystal structure determination at a graduate level. Discussions range from geometrical principles of crystallography, through relevant experimental methods, to techniques of reliable and accurate determination of crystal structures.
Author: Werner Massa
Publisher: Springer Science & Business Media
ISBN: 3662042487
Category : Science
Languages : en
Pages : 210
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Book Description
A concise introduction to modern crystal structure determination, emphasizing both the crystallographic background and the successive practical steps. In the theoretical sections, more importance is attached to a good understanding, than to a rigorous mathematical treatment. The most important measuring techniques, including the use of modern area detectors, and the methods of data reduction, structure solution and refinement are discussed from a practical point of view. Special emphasis is put on the ability to recognize and avoid possible errors and traps, and to judge the quality of results.
Author: M. F. C. Ladd
Publisher: Springer
ISBN:
Category : Science
Languages : en
Pages : 450
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Book Description
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.
Author: M. F. C. Ladd
Publisher: Springer Science & Business Media
ISBN: 1461579333
Category : Science
Languages : en
Pages : 404
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Book Description
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.
Author: Jenny P. Glusker
Publisher: John Wiley & Sons
ISBN: 9780471185437
Category : Science
Languages : en
Pages : 876
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Book Description
Anhand verschiedener Beispiele zeigen die Autoren die Bedeutung der Kristallographie für Chemie und Biochemie auf und bieten somit eine gute Zusammenfassung der allgemeinen Prinzipien der Kristallstrukturanalyse. Zum einen sollen Interessierte, die diese Methode nicht selbst durchführen, in die Lage versetzt werden, deren Ergebnisse zu interpretieren. Zum anderen wird dem Leser deutlich gemacht, welche Bedeutung die ungeheure Datenmenge, die sich aus dieser Methode ergibt, einerseits für die Chemie sowie andererseits für die Biochemie hat. Das Buch ist verständlich geschrieben und mit zahlreichen Abbildungen versehen. Durch die Darstellung der Kristallstrukturanalyse im Vergleich zu anderen Methoden ist das Werk auch besonders für fortgeschrittene Studenten geeignet, die sich mit der Kristallographie vertraut machen wollen.
Author: William I. F. David
Publisher: OUP Oxford
ISBN: 0198500912
Category : Language Arts & Disciplines
Languages : en
Pages : 358
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Book Description
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.
Author: Anthony Michael Glazer
Publisher: Oxford University Press
ISBN: 0198717598
Category : Science
Languages : en
Pages : 169
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Book Description
A long history -- Symmetry -- Crystal structures -- Diffraction -- Seeing atoms -- Sources of radiation
Author: Andrew Bond
Publisher: Royal Society of Chemistry
ISBN: 1788018516
Category : Medical
Languages : en
Pages : 304
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Book Description
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.
Author: Yoshio Waseda
Publisher: Springer Science & Business Media
ISBN: 3642166350
Category : Technology & Engineering
Languages : en
Pages : 320
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Book Description
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.
Author: Alexander J Blake
Publisher: Oxford University Press
ISBN: 019921946X
Category : Science
Languages : en
Pages : 406
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Book Description
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.
