International Tables for Crystallography, Definition and Exchange of Crystallographic Data

International Tables for Crystallography, Definition and Exchange of Crystallographic Data
Author: Sydney R. Hall
Publisher: Springer Science & Business Media
Total Pages: 609
Release: 2005-08-19
Genre: Computers
ISBN: 1402031386

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.

International Tables for Crystallography, Definition and Exchange of Crystallographic Data

International Tables for Crystallography, Definition and Exchange of Crystallographic Data
Author: Sydney Hall
Publisher: John Wiley & Sons
Total Pages: 611
Release: 2005-10-07
Genre: Science
ISBN: 0470689102

International Tables for Crystallography is the definitive resource and reference work for crystallography and structural science. Each of the volumes in the series contains articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials. Emphasis is given to symmetry, diffraction methods and techniques of crystal-structure determination, and the physical and chemical properties of crystals. The data are accompanied by discussions of theory, practical explanations and examples, all of which are useful for teaching. Volume G deals with methods and tools for organizing, archiving and retrieving crystallographic data. The volume describes the Crystallographic Information File (CIF), the standard data exchange and archival file format used throughout crystallography. The volume is divided into five parts: Part 1 – An introduction to the development of CIF. Part 2 – Details concepts and specifications of the files and languages. Part 3 – Discusses general considerations when defining a CIF data item and the classification and use of data. Part 4 - Defines all the data names for the core and other dictionaries. Part 5 - Describes CIF applications, including general advice and considerations for programmers. The accompanying software includes the CIF dictionaries in machine-readable form and a collection of libraries and utility programs. Volume G is an essential guide for programmers and data managers handling crystal-structure information, and provides in-depth information vital for recording or using single-crystal or powder diffraction data in small-molecule, inorganic and biological macromolecular structure science. More information on the series can be found at: http://it.iucr.org

Understanding Single-Crystal X-Ray Crystallography

Understanding Single-Crystal X-Ray Crystallography
Author: Dennis W. Bennett
Publisher: John Wiley & Sons
Total Pages: 826
Release: 2010-03-08
Genre: Science
ISBN: 3527326774

The first textbook for teaching this method to users with little mathematical background logically presents the theory and fundamentals in an easily comprehensible, self-contained way. The result is a must-have for advanced undergraduate students, as well as masters and graduate students and other users of single-crystal X-ray crystallography from many various disciplines.

Structural Bioinformatics

Structural Bioinformatics
Author: Jenny Gu
Publisher: John Wiley & Sons
Total Pages: 1105
Release: 2011-09-20
Genre: Science
ISBN: 1118210565

Structural Bioinformatics was the first major effort to show the application of the principles and basic knowledge of the larger field of bioinformatics to questions focusing on macromolecular structure, such as the prediction of protein structure and how proteins carry out cellular functions, and how the application of bioinformatics to these life science issues can improve healthcare by accelerating drug discovery and development. Designed primarily as a reference, the first edition nevertheless saw widespread use as a textbook in graduate and undergraduate university courses dealing with the theories and associated algorithms, resources, and tools used in the analysis, prediction, and theoretical underpinnings of DNA, RNA, and proteins. This new edition contains not only thorough updates of the advances in structural bioinformatics since publication of the first edition, but also features eleven new chapters dealing with frontier areas of high scientific impact, including: sampling and search techniques; use of mass spectrometry; genome functional annotation; and much more. Offering detailed coverage for practitioners while remaining accessible to the novice, Structural Bioinformatics, Second Edition is a valuable resource and an excellent textbook for a range of readers in the bioinformatics and advanced biology fields. Praise for the previous edition: "This book is a gold mine of fundamental and practical information in an area not previously well represented in book form." —Biochemistry and Molecular Education "... destined to become a classic reference work for workers at all levels in structural bioinformatics...recommended with great enthusiasm for educators, researchers, and graduate students." —BAMBED "...a useful and timely summary of a rapidly expanding field." —Nature Structural Biology "...a terrific job in this timely creation of a compilation of articles that appropriately addresses this issue." —Briefings in Bioinformatics

X-Ray Diffraction Crystallography

X-Ray Diffraction Crystallography
Author: Yoshio Waseda
Publisher: Springer Science & Business Media
Total Pages: 320
Release: 2011-03-18
Genre: Technology & Engineering
ISBN: 3642166350

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.

Properties of Materials

Properties of Materials
Author: Robert E. Newnham
Publisher: Oxford University Press
Total Pages: 391
Release: 2005
Genre: Science
ISBN: 0198520751

Crystals are sometimes called 'Flowers of the Mineral Kingdom'. In addition to their great beauty, crystals and other textured materials are enormously useful in electronics, optics, acoustics and many other engineering applications. This richly illustrated text describes the underlying principles of crystal physics and chemistry, covering a wide range of topics and illustrating numerous applications in many fields of engineering using the most important materials today. Tensors, matrices, symmetry and structure-property relationships form the main subjects of the book. While tensors and matrices provide the mathematical framework for understanding anisotropy, on which the physical and chemical properties of crystals and textured materials often depend, atomistic arguments are also needed to quantify the property coefficients in various directions. The atomistic arguments are partly based on symmetry and partly on the basic physics and chemistry of materials. After introducing the point groups appropriate for single crystals, textured materials and ordered magnetic structures, the directional properties of many different materials are described: linear and nonlinear elasticity, piezoelectricity and electrostriction, magnetic phenomena, diffusion and other transport properties, and both primary and secondary ferroic behavior. With crystal optics (its roots in classical mineralogy) having become an important component of the information age, nonlinear optics is described along with the piexo-optics, magneto-optics, and analogous linear and nonlinear acoustic wave phenomena. Enantiomorphism, optical activity, and chemical anisotropy are discussed in the final chapters of the book.

Quantities, Units and Symbols in Physical Chemistry

Quantities, Units and Symbols in Physical Chemistry
Author: International Union of Pure and Applied Chemistry. Physical and Biophysical Chemistry Division
Publisher: Royal Society of Chemistry
Total Pages: 240
Release: 2007
Genre: Reference
ISBN: 0854044337

Prepared by the IUPAC Physical Chemistry Division this definitive manual, now in its third edition, is designed to improve the exchange of scientific information among the readers in different disciplines and across different nations. This book has been systematically brought up to date and new sections added to reflect the increasing volume of scientific literature and terminology and expressions being used. The Third Edition reflects the experience of the contributors with the previous editions and the comments and feedback have been integrated into this essential resource. This edition has been compiled in machine-readable form and will be available online.

Crystallography

Crystallography
Author: Walter Borchardt-Ott
Publisher: Springer Science & Business Media
Total Pages: 314
Release: 2012-12-06
Genre: Science
ISBN: 3662006081

As a self-study guide, course primer or teaching aid, Bor- chardt-Ott's Crystallography is the perfect textbook for students and teachers alike. In fact, it can be used by chemists, mineralogists, physicists and geologists. Based on the author's more than 20 years of teaching experience, the book has numerous line drawings designed especially for the text and a large number of exercises - with solutions - at the end of each chapter. The fourth edition of the original German text has been translated into English for an international readership. The heart of the book is firmly fixed in geometrical crystallography. It is from the concept of the space lattice that symmetry operations, Bravais lattices, space groups and point groups are all developed. Molecular symmetry and crystal formsare treated. Much emphasis is placed on the correspondence between point groups and space groups. The sections on crystal chemistry and X-ray diffraction are intended as an introduction to these fields.