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Theories And Techniques Of Crystal Structure Determination

Author : Uri Shmueli
ISBN : 019921350X
Genre : Language Arts & Disciplines
File Size : 67.19 MB
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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.
Category: Language Arts & Disciplines

Introduction To Crystallographic Statistics

Author : Uri Shmueli
ISBN : 0198559267
Genre : Science
File Size : 66.9 MB
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Modern structural applications of crystallography make extensive use of statistical methods, in particular the probability density function (pdf) of the magnitude of the structure factor. Similarly, direct methods of phase determination have been responsible for much of the success of crystallography - methods based on properties of joint pdfs. This monograph, from two authorities in the field of structure factor statics, presents a survey of techniques and theories in this field of research in a self-contained and consistent way, with an emphasis on the probabilistic principles involved.
Category: Science

Structure Determination From Powder Diffraction Data

Author : William I. F. David
ISBN : 9780198500919
Genre : Science
File Size : 50.95 MB
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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.
Category: Science

Crystal Structure Analysis

Author : Alexander J Blake
ISBN : 9780199219469
Genre : Science
File Size : 85.29 MB
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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.
Category: Science

Aperiodic Crystals

Author : Ted Janssen
ISBN : 9780198567776
Genre : Science
File Size : 35.19 MB
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Most materials and crystals have an atomic structure which is described by a regular stacking of a microscopic fundamental unit, the unit cell. However, there are also many well ordered materials without such a unit cell. This book deals with the structure determination and a discussion of the main special properties of these materials.
Category: Science

Crystal Structure Determination

Author : Werner Massa
ISBN : 9783662042489
Genre : Science
File Size : 55.67 MB
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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.
Category: Science

Fundamentals Of Crystallography

Author : Carmelo Giacovazzo
ISBN : 0198555784
Genre : Crystallography
File Size : 30.66 MB
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Offers a rigorous treatment of the theory of crystallography and detailed descriptions of experimental applications in a wide range of sciences, including computational aspects, protein crystallography and crystal physics.
Category: Crystallography

Polymorphism In Molecular Crystals

Author : Joel Bernstein
ISBN : 9780198506058
Genre : Science
File Size : 82.44 MB
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Polymorphism - the multiplicity of structures or forms - is a term that is used in many disciplines. In chemistry it refers to the existence of more than one crystal structure for a particular chemical substance. The properties of a substance are determined by its composition and by its structure. In the last two decades, there has been a sharp rise in the interest in polymorphic systems, as an intrinsically interesting phenomenon and as an increasingly important component in the development and marketing of a variety of materials based on organic molecules (e.g. pharmaceuticals, dyes and pigments, explosives, etc.). This book summarizes and brings up to date the current knowledge and understanding of polymorphism of molecular crystals, and concentrates it in one comprehensive source. The book will be an invaluable reference for students, researchers, and professionals in the field.
Category: Science

Incommensurate Crystallography

Author : Sander van Smaalen
ISBN : 9780198570820
Genre : Science
File Size : 89.13 MB
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This book fully describes the structures and symmetries of incommensurately modulated crystals and composite crystals. It provides a complete presentation of crystallographic methods of structural analysis in incommensurate crystals, providing the necessary background for a skilled application of superspace methods to aperiodic crystals.
Category: Science

Crystallography Of Modular Materials

Author : Giovanni Ferraris
ISBN : 9780191545870
Genre : Science
File Size : 26.50 MB
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This is the first book to provide a comprehensive treatment of theories and applications in the rapidly expanding field of the crystallography of modular materials. Molecules are the natural modules from which molecular crystalline structures are built. Most inorganic structures, however, are infinite arrays of atoms and some kinds of surrogate modules, e.g. co-ordination polyhedra, are usually used to describe them. In recent years the attention has been focused on complex modules as the basis for a systematic description of polytypes and homologous/polysomatic series (modular structures). This representation is applied to the modelling of unknown structures and understanding nanoscale defects and intergrowths in materials. The Order/Disorder (OD) theory is fundamental to developing a systematic theory of polytypism, dealing with those structures based on both ordered and disordered stacking of one or more layers. Twinning at both unit-cell and micro-scale, together with disorder, causes many problems, "demons", for computer-based methods of crystal structure determination. This book develops the theory of twinning with the inclusion of worked examples, converting the "demons" into useful indicators for unravelling crystal structure. In spite of the increasing use of the concepts of modular crystallography for characterising, understanding and tailoring technological crystalline materials, this is the first book to offer a unified treatment of the results, which are spread across many different journals and original papers published over the last twenty years.
Category: Science