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Author: Maria Arménia Carrondo
Publisher: Springer Science & Business Media
ISBN: 9400940270
Category : Science
Languages : en
Pages : 612
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Book Description
X-ray and neutron crystallography have played an increasingly impor tant role in the chemical and biochemical sciences over the past fifty years. The principal obstacles in this methodology, the phase problem and com puting, have been overcome. The former by the methods developed in the 1960's and just recognised by the 1985 Chemistry Nobel Prize award to Karle and Hauptman, the latter by the dramatic advances that have taken place in computer technology in the past twenty years. Within the last decade, two new radiation sources have been added to the crystallographer's tools. One is synchrotron X-rays and the other is spallation neutrons. Both have much more powerful fluxes than the pre vious sources and they are pulsed rather than continuos. New techniques are necessary to fully exploit the intense continuos radiation spectrum and its pulsed property. Both radiations are only available from particular National Laboratories on a guest-user basis for scientists outside these Na tional Laboratories. Hitherto, the major emphasis on the use of these facilities has been in solid-state physics, and the material, engineering and biological sciences. We believe that there is equivalent potential to applications which are pri marily chemical or biochemical.
Author: Maria Arménia Carrondo
Publisher: Springer Science & Business Media
ISBN: 9400940270
Category : Science
Languages : en
Pages : 612
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Book Description
X-ray and neutron crystallography have played an increasingly impor tant role in the chemical and biochemical sciences over the past fifty years. The principal obstacles in this methodology, the phase problem and com puting, have been overcome. The former by the methods developed in the 1960's and just recognised by the 1985 Chemistry Nobel Prize award to Karle and Hauptman, the latter by the dramatic advances that have taken place in computer technology in the past twenty years. Within the last decade, two new radiation sources have been added to the crystallographer's tools. One is synchrotron X-rays and the other is spallation neutrons. Both have much more powerful fluxes than the pre vious sources and they are pulsed rather than continuos. New techniques are necessary to fully exploit the intense continuos radiation spectrum and its pulsed property. Both radiations are only available from particular National Laboratories on a guest-user basis for scientists outside these Na tional Laboratories. Hitherto, the major emphasis on the use of these facilities has been in solid-state physics, and the material, engineering and biological sciences. We believe that there is equivalent potential to applications which are pri marily chemical or biochemical.
Author: Mark Ladd
Publisher: Springer Science & Business Media
ISBN: 146143954X
Category : Science
Languages : en
Pages : 784
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Book Description
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.
Author: D. Michael P. Mingos
Publisher: Springer Nature
ISBN: 3030647439
Category : Science
Languages : en
Pages : 285
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Book Description
This volume summarises recent developments and possible future directions for small molecule X-ray crystallography. It reviews specific areas of crystallography which are rapidly developing and places them in a historical context. The interdisciplinary nature of the technique is emphasised throughout. It introduces and describes the chemical crystallographic and synchrotron facilities which have been at the cutting edge of the subject in recent decades. The introduction of new computer-based algorithms has proved to be very influential and stimulated and accelerated the growth of new areas of science. The challenges which will arise from the acquisition of ever larger databases are considered and the potential impact of artificial intelligence techniques stressed. Recent advances in the refinement and analysis of X-ray crystal structures are highlighted. In addition the recent developments in time resolved single crystal X-ray crystallography are discussed. Recent years have demonstrated how this technique has provided important mechanistic information on solid-state reactions and complements information from traditional spectroscopic measurements. The volume highlights how the prospect of being able to routinely “watch” chemical processes as they occur provides an exciting possibility for the future. Recent advances in X-ray sources and detectors that have also contributed to the possibility of dynamic single-crystal X-ray diffraction methods are presented. The coupling of crystallography and quantum chemical calculations provides detailed information about electron distributions in crystals and has resulted in a more detailed understanding of chemical bonding. The volume will be of interest to chemists and crystallographers with an interest in the synthesis, characterisation and physical and catalytic properties of solid-state materials. Postgraduate students entering the field will benefit from a historical introduction to the subject and a description of those techniques which are currently used. Since X-ray crystallography is used so widely in modern chemistry it will serve to alert senior chemists to those developments which will become routine in coming decades. It will also be of interest to the broad community of computational chemists who study chemical systems.
Author: Mark Ladd
Publisher: Springer
ISBN: 9781461439561
Category : Science
Languages : en
Pages : 756
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Book Description
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.
Author: Dmitriĭ Ivanovich Svergun
Publisher:
ISBN: 0199639531
Category : Science
Languages : en
Pages : 369
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Book Description
This book describes all aspects of the technique of small-angle scattering of X-rays and neutrons, including instrumentation, sample requirements, data interpretation and modelling methods, in a comprehensive way and gives examples of applications in various fields of biophysics and biochemistry.
Author: Kate Wright
Publisher: Springer Science & Business Media
ISBN: 9780792359814
Category : Science
Languages : en
Pages : 670
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Book Description
One of the major developments in Earth Sciences in general, and mineralogy in particular, has been the growth of our understanding of the microscopic behaviour of the complex materials that make up the Earth. This has been made possible by advances in our ability to probe minerals at the atomic level, over a large range of pressure and temperature conditions. New experimental techniques include the use of scanning probe microscopies to investigate mineral surfaces, as well as the use of neutron scattering, nuclear spectroscopies and synchrotron radiation to investigate the bonding and structure of minerals. In addition, there have been major developments in computational methods so that it is now possible to calculate the electronic structure of many rock forming materials. The aim of this volume is to give a coherent survey of the latest developments in experimental and theoretical approaches to the study of microscopic propertie~ and processes in minerals. Chapters in the book cover a number of key themes in the mineral sciences such as the behaviour of minerals at extremes of pressure and temperature, ordering in complex silicates, mechanisms of water incorporation in mantle phases, the importance of reactions occurring at the mineral surface, and the ability of computational methods to provide useful, qualitative information on the bulk and surface properties of minerals. The background to several experimental techniques is covered in some detail with examples of relevance to the issues cited above.
Author: Albert Furrer
Publisher: World Scientific
ISBN: 9814550477
Category :
Languages : en
Pages : 266
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Book Description
This volume provides a topical survey of the static and dynamic properties of hydrogen in both metallic and inorganic materials studied by neutron scattering which has been the key technique in this field for a long time. The static aspects deal with the localization of hydrogen in a variety of materials including the technically important metal hydrides, zeolites, and superionic conductors. The dynamic aspects concentrate on local modes, hydrogen bonds, tunneling, and diffusion. All these topics are thoroughly introduced, methodically discussed, and highlighted with recent experimental results by acknowledged experts.
Author: Gilberto Artioli
Publisher: OUP Oxford
ISBN: 0191576352
Category : Science
Languages : en
Pages : 552
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Book Description
Scientific techniques developed in materials science offer invaluable information to archaeology, art history, and conservation. A rapidly growing number of innovative methods, as well as many established techniques, are constantly being improved and optimised for the analysis of cultural heritage materials. The result is that on the one hand more complex problems and questions can be confronted, but on the other hand the required level of technical competence is widening the existing cultural gap between scientists and end users, such as archaeologists, museum curators, art historians, and many managers of cultural heritage who have a purely humanistic background. The book is intended as an entry-level introduction to the methods and rationales of scientific investigation of cultural heritage materials, with emphasis placed on the analytical strategies, modes of operation, and resulting information rather than on technicalities. The extensive and updated reference list should be a useful starting point for further reading. Students and researchers from the humanities approaching scientific investigations should find it useful, as well as scientists applying familiar techniques and methods to unfamiliar problems related to cultural heritage.
Author: P. Marin
Publisher: Atlantica Séguier Frontières
ISBN: 9782863320907
Category : Particle accelerators
Languages : en
Pages : 1054
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Book Description
Author: Carmelo Giacovazzo
Publisher: Oxford University Press, USA
ISBN: 9780198509585
Category : Science
Languages : en
Pages : 860
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Book Description
In recent years crystallographic techniques have found applications in a wide range of subjects, and these applications in turn have led to exciting developments in the field of crystallography itself. This completely revised text offers a rigorous treatment of the theory and describes experimental applications in many fields: crystal symmetry, crystallographic computing, X-ray diffraction, crystal structure solution, mineral and inorganic crystal chemistry, protein crystallography, crystallography of real crystals, and crystal physics. A set of pedagogical tools on CD-ROM has been added to this new edition.