Download or read book Crystallographic Instrumentation written by L. A. Aslanov and published by Oxford University Press. This book was released on 1998 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: Innovations in crystallographic instrumentation and the rapid development of methods of diffraction measurement have led to a vast improvement in our ability to determine crystal and molecular structure. This up-to-date resource will allow the reader to harness the potential of X-ray diffraction instruments. Different sources of X-radiation used in crystallography are introduced, including synchrotron radiation, as well as a systematic review of detectors for X-rays and basic instruments for single crystal and powder diffractometry. The principles of the diffraction experiment are discussed and related to their practical application with a comparative description of different scan procedures. Diffraction data collection and processing are also reviewed and methods for error correction are described. This book will provide a useful guide for researchers and students starting in this area of science, as well as skilled crystallographers.
Download or read book Fundamentals of Crystallography written by Carmelo Giacovazzo and published by Oxford University Press, USA. This book was released on 2002 with total page 860 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book International Tables for Crystallography Definition and Exchange of Crystallographic Data written by Sydney R. Hall and published by Springer Science & Business Media. This book was released on 2005-08-19 with total page 609 pages. Available in PDF, EPUB and Kindle. Book excerpt: International Tables for Crystallography Volume G, Definition and exchange of crystallographic data, describes the standard data exchange and archival file format (the Crystallographic Information File, or CIF) used throughout crystallography. It provides in-depth information vital for small-molecule, inorganic and macromolecular crystallographers, mineralogists, chemists, materials scientists, solid-state physicists and others who wish to record or use the results of a single-crystal or powder diffraction experiment. The volume also provides the detailed data ontology necessary for programmers and database managers to design interoperable computer applications. The accompanying CD-ROM contains the CIF dictionaries in machine-readable form and a collection of libraries and utility programs. This volume is an essential guide and reference for programmers of crystallographic software, data managers handling crystal-structure information and practising crystallographers who need to use CIF.
Download or read book Small Angle X Ray and Neutron Scattering from Solutions of Biological Macromolecules written by Dmitri I. Svergun and published by OUP Oxford. This book was released on 2013-08-08 with total page 369 pages. Available in PDF, EPUB and Kindle. Book excerpt: Small-angle scattering of X-rays (SAXS) and neutrons (SANS) is an established method for the structural characterization of biological objects in a broad size range from individual macromolecules (proteins, nucleic acids, lipids) to large macromolecular complexes. SAXS/SANS is complementary to the high resolution methods of X-ray crystallography and nuclear magnetic resonance, allowing for hybrid modeling and also accounting for available biophysical and biochemical data. Quantitative characterization of flexible macromolecular systems and mixtures has recently become possible. SAXS/SANS measurements can be easily performed in different conditions by adding ligands or binding partners, and by changing physical and/or chemical characteristics of the solvent to provide information on the structural responses. The technique provides kinetic information about processes like folding and assembly and also allows one to analyze macromolecular interactions. The major factors promoting the increasingly active use of SAXS/SANS are modern high brilliance X-ray and neutron sources, novel data analysis methods, and automation of the experiment, data processing and interpretation. In this book, following the presentation of the basics of scattering from isotropic macromolecular solutions, modern instrumentation, experimental practice and advanced analysis techniques are explained. Advantages of X-rays (rapid data collection, small sample volumes) and of neutrons (contrast variation by hydrogen/deuterium exchange) are specifically highlighted. Examples of applications of the technique to different macromolecular systems are considered with specific emphasis on the synergistic use of SAXS/SANS with other structural, biophysical and computational techniques.
Download or read book Aperiodic Crystals written by Ted Janssen and published by Oxford University Press. This book was released on 2018 with total page 551 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book explains aperiodic crystals, which cannot be described by the classical model of 3-dimensional periodicities. The study of these new types of material necessitates describing them in dimensions larger than three. It describes the physical and mathematical methods to solve and characterize them, and to understand their physical properties.
Download or read book Models Mysteries and Magic of Molecules written by Jan C. A. Boeyens and published by Springer Science & Business Media. This book was released on 2008-03-11 with total page 515 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Indaba 5 meeting, held in South Africa during August 2006, examined the progress being made to achieve first-principle understanding of molecular science and confirmed the need to better understand the mysteries and magic of molecules. This book explores the common ground to guide chemists, biologists, crystallographers, spectroscopists and theorists towards painting a holistic picture of scientific endeavor.
Download or read book The Chemical Bond in Inorganic Chemistry written by Ian David Brown and published by Oxford University Press. This book was released on 2016 with total page 331 pages. Available in PDF, EPUB and Kindle. Book excerpt: The bond valence model, a description of acid-base bonding, is widely used for analysing and modelling the structures and properties of solids and liquids. Unlike other models of inorganic chemical bonding, the bond valence model is simple, intuitive, and predictive, and is accessible to anyone with a pocket calculator and a secondary school command of chemistry and physics. This new edition of 'The Chemical Bond in Inorganic Chemistry: The Bond Valence Model' shows how chemical properties arise naturally from the conflict between the constraints of chemistry and those of three-dimensional space. The book derives the rules of the bond valence model, as well as those of the traditional covalent, ionic and popular VSEPR models, by identifying the chemical bond with the electrostatic flux linking the bonded atoms. Most of the new edition is devoted to showing how to apply these ideas to real materials including crystals, liquids, glasses and surfaces. The work includes detailed examples of applications, and the final chapter explores the relationship between the flux and quantum theories of the bond.
Download or read book Neutron Protein Crystallography written by Nobuo Niimura and published by Oxford University Press. This book was released on 2011-02-17 with total page 250 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is one of the first books dedicated to the emerging field of neutron protein crystallography (NPC). The text covers all of the practical aspects of NPC, from the basic background of neutron scattering and diffraction, to the technical details of neutron facilities, growth of high-quality crystals, and data analysis. The final chapter is devoted to providing many examples of using NPC to investigate a wide range of different proteins. It demonstrates how NPC can explore hydrogen bonds, protonation and deprotonation of amino acid residues, hydration structures, and hydrogen-to-deuterium exchange ratios. To avoid redundancy with other textbooks on X-ray protein crystallography (XPC), this book assumes a familiarity with the basics of XPC and strives to highlight and explain the differences between XPC and NPC. It is therefore especially useful for X-ray protein crystallographers who are eager to have a sound, scientific basis for judging if NPC is the right technique for furthering their experimental programs.
Download or read book The Basics of Crystallography and Diffraction written by Christopher Hammond and published by Oxford University Press, USA. This book was released on 2015 with total page 539 pages. Available in PDF, EPUB and Kindle. Book excerpt: Crystallography and diffraction are widely used throughout science for studying structure. The aim of this book is to show, through relevant examples and without relying on complex mathematics, that the basic ideas behind crystallography and diffraction are simple and easily comprehensible.
Download or read book Crystalline Molecular Complexes and Compounds written by Frank H. Herbstein and published by OUP Oxford. This book was released on 2005-11-17 with total page 1352 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive and unified account of the structure and properties of crystalline binary adducts. Perhaps better known as molecular complexes and compounds, these crystals are currently estimated (from molecular recognition studies) to make up one quarter of the world's crystals, providing evidence for some sort of special attraction between the two components. DNA is perhaps the most famous example but others (hydrates, solvates, host-guest inclusion complexes, donor-acceptor compounds) pervade the whole body of solid state chemistry. Although much research has been published, there has never been a comprehensive and unified treatment of the whole field. This book has been designed to fill this gap, comparing and contrasting the various examples and the different types of interaction (hydrogen bonding, inclusion and localized or delocalized charge transfer). More than 600 figures, 200 tables and 3500 references are included in the book. Since most 'parent compounds' form a number of adducts, the fraction of crystalline binary adducts is only going to grow making this account just the 'tip of the iceberg'.
Download or read book Advanced Structural Inorganic Chemistry written by Wai-Kee Li and published by OUP Oxford. This book was released on 2008-03-27 with total page 848 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a revised and updated English edition of a textbook that has grown out of several years of teaching. The term "inorganic" is used in a broad sense as the book covers the structural chemistry of representative elements (including carbon) in the periodic table, organometallics, coordination polymers, host-guest systems and supramolecular assemblies. Part I of the book reviews the basic bonding theories, including a chapter on computational chemistry. Part II introduces point groups and space groups and their chemical applications. Part III comprises a succinct account of the structural chemistry of the elements in the periodic table. It presents structure and bonding, generalizations of structural trends, crystallographic data, as well as highlights from the recent literature.
Download or read book The Nature of the Hydrogen Bond written by Gastone Gilli and published by Oxford University Press. This book was released on 2009-06-25 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book defines, for the first time, the rules for predicting H-bond energies and geometries from the properties of the interacting molecules. This new knowledge is used to investigate the molecular mechanisms in systems relevant to chemistry, biochemistry, pharmacology, crystallography, and material sciences.
Download or read book Incommensurate Crystallography written by Sander Van Smaalen and published by OUP Oxford. This book was released on 2007-06-07 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: For many years it was believed that translational symmetry would be the fundamental property of crystal structures of natural and synthetic compounds. It is now recognised that many compounds crystallise without translational symmetry of their atomic structures. "Incommensurate Crystallography" gives a comprehensive account of the superspace theory for the description of crystal structures and symmetries of these incommensurately modulated crystals and incommensurate composite crystals. It thus provides the necessary background for quantitative analysis of incommensurate crystals by methods in Solid State Chemistry and Solid State Physics. The second half of "Incommensurate Crystallography" is devoted to crystallographic methods of structural analysis of incommensurate compounds. Thorough accounts are given of the diffraction by incommensurate crystals, the choice of parameters in structure refinements, and the use of superspace in analysing crystal structures. The presentation of methods of structure determination includes modern methods like the Maximum Entropy Method and Charge Flipping.
Download or read book Diffuse Scattering and Defect Structure Simulations written by Reinhard B. Neder and published by OUP Oxford. This book was released on 2008-11-20 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years it has become apparent that knowing the average atomic structure of materials is insufficient to understand their properties. Diffuse scattering in addition to the Bragg scattering holds the key to learning about defects in materials, the topic of many recent books. What has been missing is a detailed step-by-step guide how to simulate disordered materials. The DISCUS cook book fills this need covering simple topics such as building a computer crystal to complex topic such as domain structures, stacking faults or using advanced refinement techniques to adjust parameters on a disordered model. The book contains a CDROM with all files needed to recreate every example given using the program DISCUS. The reader is free to follow the principles behind simulating disordered materials or to get down into the details and run or modify the given examples.
Download or read book Diffuse X Ray Scattering and Models of Disorder written by Thomas Richard Welberry and published by OUP Oxford. This book was released on 2004-09-09 with total page 281 pages. Available in PDF, EPUB and Kindle. Book excerpt: Diffuse X-ray scattering is a rich (virtually untapped) source of local structural information over and above that obtained by conventional crystal structure determination (crystallography). The main aim in the book is to show how computer simulation of a model crystal provides a general method by which diffuse scattering of all kinds and from all types of materials can be interpreted and analysed. Part I of the book gives a description of the experimental methods used to obtain diffuse scattering data. Part II describes a number of simple stochastic models of disorder, which allows various concepts to be established and enables simple examples to be generated to illustrate key principles. Part III describes example studies of a wide variety of real materials. These examples not only document the development of computer simulation methods for investigating and analysing disorder problems but also provide a resource for helping future researchers recognise the kinds of effects which can occur and for pointing the way to tackling new problems which are encountered.
Download or read book Structure Determination from Powder Diffraction Data written by W. I. F. David and published by OUP Oxford. This book was released on 2006-08-03 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: The art of solving a structure from powder diffraction data has developed rapidly over the last ten years to the point where numerous crystal structures, both organic and inorganic, have been solved directly from powder data. However, it is still an art and, in contrast to its single crystal equivalent, is far from routine. The art lies not only in the correct application of a specific experimental technique or computer program, but also in the selection of the optimal path for the problem at hand. 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.
Download or read book Crystallography of Modular Materials written by Giovanni Ferraris and published by OUP Oxford. This book was released on 2004-03-25 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
