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Mikhail Alexandrovich Krivoglaz died unexpectedly when he was preparing the English edition of his two-volume monograph on diffraction and diffuse scatter ing of X-rays and neutrons in imperfect crystals. His death was a heavy blow to all who knew him, who had worked with him and to the world science community as a whole. The application of the diffraction techniques for the study of imperfections of crystal structures was the major field of Krivoglaz' work throughout his career in science. He started working in the field in the mid-fifties and since then made fundamental contributions to the theory of real crystals. His results have largely determined the current level of knowledge in this field for more than thirty years. Until the very last days of his life, Krivoglaz continued active studies in the physics of diffraction effects in real crystals. His interest in the theory aided in the explanation of the rapidly advancing experimental studies. The milestones marking important stages of his work were the first mono graph on the theory of X-ray and neutron scattering in real crystals which was published in Russian in 1967 (a revised English edition in 1969), and the two volume monograph published in Russian in 1983-84 (this edition is the revised translation of the latter).
X-Ray and Neutron Diffraction describes the developments of the X-ray and the various research done in neutron diffraction. Part I of the book concerns the principles and applications of the X-ray and neutrons through their origins from classical crystallography. The book explains the use of diffraction methods to show the highly regular arrangement of atoms that forms a continuous pattern in three-dimensional space. The text evaluates the limitations and benefits of using the different types of radiation sources, whether these are X-rays, neutrons, or electrons. Part II is a collection of reprints discussing the development of techniques that includes a modification of the Bragg method, which is a method of X-ray crystal analysis. One paper presents an improved numerical method of two-dimensional Fourier synthesis for crystals. This method uses a greatly reduced process of arrangement of sets of figures found in the two-dimensional Fourier series. The book also notes the theoretical considerations and the practical details, and then addresses precautions against possible inclusions of errors in this method. The text deals as well with the magnetic scattering of neutrons, and one paper presents a simple method of gathering information about the magnetic moment of the neutron besides the traditional Stern-Gerlach method. Nuclear scientists and physicists, atomic researchers, and nuclear engineers will greatly appreciate the book.
This volume collects the proceedings of the 23rd International Course of Crystallography, entitled "X-ray and Neutron Dynamical Diffraction, Theory and Applications," which took place in the fascinating setting of Erice in Sicily, Italy. It was run as a NATO Advanced Studies Institute with A. Authier (France) and S. Lagomarsino (Italy) as codirectors, and L. Riva di Sanseverino and P. Spadon (Italy) as local organizers, R. Colella (USA) and B. K. Tanner (UK) being the two other members of the organizing committee. It was attended by about one hundred participants from twenty four different countries. Two basic theories may be used to describe the diffraction of radiation by crystalline matter. The first one, the so-called geometrical, or kinematical theory, is approximate and is applicable to small, highly imperfect crystals. It is used for the determination of crystal structures and describes the diffraction of powders and polycrystalline materials. The other one, the so-called dynamical theory, is applicable to perfect or nearly perfect crystals. For that reason, dynamical diffraction of X-rays and neutrons constitutes the theoretical basis of a great variety of applications such as: • the techniques used for the characterization of nearly perfect high technology materials, semiconductors, piezoelectric, electrooptic, ferroelectric, magnetic crystals, • the X-ray optical devices used in all modem applications of Synchrotron Radiation (EXAFS, High Resolution X-ray Diffractometry, magnetic and nuclear resonant scattering, topography, etc. ), and • X-ray and neutron interferometry.
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.
This important book presents a comprehensive account of the techniques and applications of single crystal neutron diffraction in the area of chemical crystallography and molecular structure. Beginning with a brief description of the general principles and the reasons for choosing the technique — the “why” — the book covers the methods for both the production of neutrons and the measurement of their scattering by molecular crystals — the “how” — followed by a detailed survey of past, present and future applications — the “what”. The coverage of both steady state and pulsed neutron sources and instrumentation is extensive, while the survey of applications is the most comprehensive yet undertaken. The book endeavours to show why the technique is an essential method for studying areas as diverse as hydrogen bonding and weak interactions, organometallics, supramolecular chemistry and crystal engineering, metal hydrides, charge density and pharmaceuticals. It is an ideal reference source for the research worker interested in using neutron diffraction to study the structure of molecules.
Origin, Scope, and Plan of this Book In July 1962 the fiftieth anniversary of Max von Laue's discovery of the Diffraction of X-rays by crystals is going to be celebrated in Munich by a large international group of crystallographers, physi cists, chemists, spectroscopists, biologists, industrialists, and many others who are employing the methods based on Laue's discovery for their own research. The invitation for this celebration will be issued jointly by the Ludwig Maximilian University of Munich, where the discovery was made, by the Bavarian Academy of Sciences, where it was first made public, and by the International Union of Crystallo graphy, which is the international organization of the National Committees of Crystallography formed in some 30 countries to repre sent and advance the interests of the 3500 research workers in this field. The year 1912 also is the birth year of two branches of the physical sciences which developed promptly from Laue's discovery, namely X-ray Crystal Structure Analysis which is most closely linked to the names ofW. H. (Sir William) Bragg and W. L. (Sir Lawrence) Bragg, and X-ray Spectroscopy which is associated with the names of W. H. Bragg, H. G. J. Moseley, M. de Broglie and Manne Siegbahn. Crystal Structure Analysis began in November 1912 with the first papers ofW. L. Bragg, then still a student in Cambridge, in which, by analysis of the Laue diagrams _of zinc blende, he determined the correct lattice upon which the structure of this crystal is built.
With the most comprehensive and up-to-date overview of structure-based drug discovery covering both experimental and computational approaches, Structural Biology in Drug Discovery: Methods, Techniques, and Practices describes principles, methods, applications, and emerging paradigms of structural biology as a tool for more efficient drug development. Coverage includes successful examples, academic and industry insights, novel concepts, and advances in a rapidly evolving field. The combined chapters, by authors writing from the frontlines of structural biology and drug discovery, give readers a valuable reference and resource that: Presents the benefits, limitations, and potentiality of major techniques in the field such as X-ray crystallography, NMR, neutron crystallography, cryo-EM, mass spectrometry and other biophysical techniques, and computational structural biology Includes detailed chapters on druggability, allostery, complementary use of thermodynamic and kinetic information, and powerful approaches such as structural chemogenomics and fragment-based drug design Emphasizes the need for the in-depth biophysical characterization of protein targets as well as of therapeutic proteins, and for a thorough quality assessment of experimental structures Illustrates advances in the field of established therapeutic targets like kinases, serine proteinases, GPCRs, and epigenetic proteins, and of more challenging ones like protein-protein interactions and intrinsically disordered proteins
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 int the book, and solutions are available to instructors.
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.