Crystal structure analysis

a primer

Author: Jenny Pickworth Glusker,Kenneth N. Trueblood

Publisher: N.A

ISBN: N.A

Category: Science

Page: 269

View: 4446

This practical guide explains how and why the architecture of molecules can be determined by analysis of the diffraction patterns produced by X-ray crystallography. Thoroughly illustrated, it is intended for nonspecialists who want to understand the fundamentals of this widely used method ofstructure determination. The new second edition has been revised and expanded to take account of the many recent advances in the field.

Crystal Structure Refinement

A Crystallographer's Guide to SHELXL

Author: Peter Muller

Publisher: Oxford University Press

ISBN: 0198570767

Category: Science

Page: 213

View: 9892

Accompanying CD-ROM contains all the files necessary to reproduce the refinements covered in the text.

Crystal Structure Analysis

A Primer

Author: Jenny Pickworth Glusker,Kenneth N. Trueblood

Publisher: Oxford University Press

ISBN: 0199576343

Category: Science

Page: 276

View: 5761

The purpose of this book is to explain why molecular structure can be determined by single-crystal diffraction of X rays. It is not an account of the practical procedural details, but rather an account of the underlying physical principles, and the kinds of experiments and methods of handling the experimental data that are used.

Crystallography Made Crystal Clear

A Guide for Users of Macromolecular Models

Author: Gale Rhodes

Publisher: Academic Press

ISBN: 0323137784

Category: Science

Page: 202

View: 2385

Crystallography Made Crystal Clear is designed to meet the need for an X-ray analysis that is between brief textbook sections and complete treatments. The book provides non-crystallographers with an intellectually satisfying explanation of the principles of how protein models are gleaned from X-ray analysis. The understanding of these concepts will foster wise use of the models, including the recognition of the strengths and weaknesses of pictures or computer graphics. Since proteins comprise the majority of the mass of macromolecules in cells and carry out biologically important tasks, the book will be of interest to biologists. Provides accessible descriptions of principles of x-ray crystallography, built on simple foundations for anyone with a basic science background Leads the reader through clear, thorough, unintimidating explanations of the mathematics behind crystallography Explains how to read crystallography papers in research journals If you use computer-generated models of proteins or nucleic acids for: Studying molecular interactions Designing ligands, inhibitors, or drugs Engineering new protein functions Interpreting chemical, kinetic, thermodynamic, or spectroscopic data Studying protein folding Teaching macromolecule structure,and if you want to read new structure papers intelligently; become a wiser user of macromolecular models; and want to introduce undergraduates to the important subject of x-ray crystallography, then this book is for you.

The Basics of Crystallography and Diffraction

Author: Christopher Hammond

Publisher: OUP Oxford

ISBN: 0191058688

Category: Science

Page: 528

View: 9784

This book provides a clear and very broadly based introduction to crystallography, light, X-ray and electron diffraction - a knowledge which is essential to students in a wide range of scientific disciplines but which is otherwise generally covered in subject-specific and more mathematically detailed texts. The text is also designed to appeal to the more general reader since it shows, by historical and biographical references, how the subject has developed from the work and insights of successive generations of crystallographers and scientists. The book shows how an understanding of crystal structures, both inorganic and organic may be built up from simple ideas of atomic and molecular packing. Beginning with (two dimensional) examples of patterns and tilings, the concepts of lattices, symmetry point and space groups are developed. 'Penrose' tilings and quasiperiodic structures are also included. The reciprocal lattice and its importance in understanding the geometry of light, X-ray and electron diffraction patterns is explained in simple terms, leading to Fourier analysis in diffraction, crystal structure determination, image formation and the diffraction-limited resolution in these techniques. Practical X-ray and electron diffraction techniques and their applications are described. A recurring theme is the common principles: the techniques are not treated in isolation. The fourth edition has been revised throughout, and includes new sections on Fourier analysis, Patterson maps, direct methods, charge flipping, group theory in crystallography, and a new chapter on the description of physical properties of crystals by tensors (Chapter 14).

Crystal Structure Determination

Author: Werner Massa

Publisher: Springer Science & Business Media

ISBN: 3662042487

Category: Science

Page: 206

View: 446

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.

Fundamentals of Crystallography

Author: Carmelo Giacovazzo

Publisher: Oxford University Press

ISBN: 9780198555780

Category: Crystallography

Page: 654

View: 7305

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.

Crystal Structure Analysis

Principles and Practice

Author: Alexander J Blake,William Clegg

Publisher: Oxford University Press

ISBN: 019921946X

Category: Science

Page: 387

View: 1500

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.

Principles of X-ray Crystallography

Author: Li-ling Ooi

Publisher: Oxford University Press

ISBN: 0199569045

Category: Science

Page: 154

View: 9577

"With an understanding of three-dimensional structure being so central to the understanding of molecular function, Principles of X-ray Crystallography is the perfect guide for anyone needing to gain a working insight into X-ray crystallography." --Book Jacket.

X-ray Crystallography

Author: William Clegg

Publisher: Oxford University Press, USA

ISBN: 0198700970

Category: X-ray crystallography

Page: 128

View: 4560

The renowned Oxford Chemistry Primers series, which provides focused introductions to a range of important topics in chemistry, has been refreshed and updated to suit the needs of today's students, lecturers, and postgraduate researchers. The rigorous, yet accessible, treatment of each subject area is ideal for those wanting a primer in a given topic to prepare them for more advanced study or research. Moreover, cutting-edge examples and applications throughout the texts show the relevance of the chemistry being described to current research and industry. Learning features provided in the primers, including questions at the end of every chapter and interactive online MCQs, encourage active learning and promote understanding. Furthermore, frequent diagrams, margin notes, further reading, and glossary definitions all help to enhance a student's understanding of these essential areas of chemistry. This primer provides a succinct account of the technique of X-ray crystallography for determining structure in the solid state. Engaging examples of practical applications are described throughout, emphasising the importance of this field to modern research and industry. Furthermore, end of chapter exercises and online multiple choice questions enable students to test their own understanding of the subject. Online Resource Centre The Online Resource Centre to accompany X-Ray Crystallography features: For registered adopters of the text: * Figures from the book available to download For students: * Downloadable CIF data files * Multiple-choice questions for self-directed learning * Full worked solutions to the end-of-chapter exercises

Crystal Structure Determination

Author: William Clegg,William Clegg (Prof.)

Publisher: N.A

ISBN: 9780198559016

Category: Language Arts & Disciplines

Page: 84

View: 9707

This concise text describes the basic principles of crystal structure determination by X-ray diffraction and the application of these principles in practice. The technique is presented step-by-step and illustrated with a wide range of case studies, including the use of the most up-to-date equipment. Crystal Structure Determination explains how X-ray crystallography fits in with modern chemistry, why it is important, and what it can do, with the aim of enabling the reader to understand and assess structural results in books and research journals. There is additional coverage of related topics such as neutron diffraction and the application of computer databases. Mathematical treatment is kept at a relatively low level and is complemented by extensive illustrations and worked examples. This clear introduction to the topic will be an essential text for chemistry undergraduates. Other related science undergraduates (biochemists, environmental scientists, etc.) and postgraduate chemists will also find this book useful.

Molecular Aggregation

Structure Analysis and Molecular Simulation of Crystals and Liquids

Author: Angelo Gavezzotti

Publisher: OUP Oxford

ISBN: 0198570805

Category: Business & Economics

Page: 425

View: 5031

The book is divided in two parts, to supply first the basic elements of the language, with short but complete explanations of terms, methods and theories; and then to describe the present status of studies on the processes by which organic molecules aggregate to form observable bodies and to determine their physical and chemical properties.

Quasicrystals

A Primer

Author: Christian Janot

Publisher: Oxford University Press

ISBN: 0199657408

Category: Science

Page: 409

View: 7534

This primer provides a descriptive approach to the subject of quasicrystals for those coming to it for the first time. The various practical, experimental, and theoretical topics are dealt with in an accessible style. The book is completed by problem sets and there is a computer program that generates a Penrose lattice.

X-Ray Diffraction

A Practical Approach

Author: C. Suryanarayana,M. Grant Norton

Publisher: Springer Science & Business Media

ISBN: 1489901485

Category: Technology & Engineering

Page: 273

View: 3860

In this, the only book available to combine both theoretical and practical aspects of x-ray diffraction, the authors emphasize a "hands on" approach through experiments and examples based on actual laboratory data. Part I presents the basics of x-ray diffraction and explains its use in obtaining structural and chemical information. In Part II, eight experimental modules enable the students to gain an appreciation for what information can be obtained by x-ray diffraction and how to interpret it. Examples from all classes of materials -- metals, ceramics, semiconductors, and polymers -- are included. Diffraction patterns and Bragg angles are provided for students without diffractometers. 192 illustrations.

Advanced Structural Inorganic Chemistry

Author: Wai-Kee Li,Gong-Du Zhou,Thomas C. W. Mak

Publisher: Oxford University Press

ISBN: 0199216940

Category: Science

Page: 819

View: 5119

A revised and updated English edition of a textbook based on teaching at the final year undergraduate and graduate level. It presents structure and bonding, generalizations of structural trends, crystallographic data, as well as highlights from the recent literature.

Crystal Structure Analysis for Chemists and Biologists

Author: Jenny P. Glusker,Mitchell Lewis,Miriam Rossi

Publisher: John Wiley & Sons

ISBN: 9780471185437

Category: Science

Page: 854

View: 2099

The fields of structural chemistry and biochemistry have blossomed in the last seventy years since X-ray diffraction was discovered in 1912. Dorothy Hodgkin, who obtained a Nobel Prize in 1965 for her X-ray diffraction work wrote 'a great advantage of X-ray analysis as a method of chemical structure analysis is its power to show some totally unexpected and surprising structure with, at the same time, complete certainty.' The results of all X-ray diffraction studies are used by chemists and buiochemists but these scientists need to be able to appreciate the significance and extent to which these results may be used. A number of books written for practicing crystallographers cover the theory and applications of X-ray diffraction, but few are of real practical use to non-specialists. In 'Crystal Structure Analysis for Biologists and Chemists', the general principles of crystal structure are presented in a highly readable way. The book of Glusker, who is internationally renowned, provides good coverage of theory, including data and understanding their significance.

The phases of silica

Author: Robert Browning Sosman

Publisher: N.A

ISBN: N.A

Category: Nature

Page: 388

View: 4010

The Basics of Crystallography and Diffraction

Author: Christopher Hammond

Publisher: OUP Oxford

ISBN: 019156771X

Category: Science

Page: 448

View: 6246

This book provides a clear introduction to topics which are essential to students in a wide range of scientific disciplines but which are otherwise only covered in specialised and mathematically detailed texts. It shows how crystal structures may be built up from simple ideas of atomic packing and co-ordination, it develops the concepts of crystal symmetry, point and space groups by way of two dimensional examples of patterns and tilings, it explains the concept of the reciprocal lattice in simple terms and shows its importance in an understanding of light, X-ray and electron diffraction. Practical examples of the applications of these techniques are described and also the importance of diffraction in the performance of optical instruments. The book is also of value to the general reader since it shows, by biographical and historical references, how the subject has developed and thereby indicates some of the excitement of scientific discovery.

Geometry of Crystals, Polycrystals, and Phase Transformations

Author: Harshad K. D. H. Bhadeshia

Publisher: CRC Press

ISBN: 1351629107

Category: Science

Page: 252

View: 1368

Organized into a two-part structure aimed at readers of differing experience levels, Geometry of Crystals, Polycrystals, and Phase Transformations is accessible to both newcomers and advanced researchers within the field of crystallography. The first part of the text covers what any reader in the material sciences, physics, chemistry, earth sciences and natural sciences in general should know about crystallography. It is intentionally concise and covers sufficient material to form a firm foundation. The second part is aimed at researchers and discusses phase transformations, deformations, and interface crystallography in depth. The phase transformations are limited to those dominated by crystallography. The entire book contains worked examples and uniquely deals not just with crystals but aggregates of crystals and solid-state transformations between crystals.

Phasing in Crystallography

A Modern Perspective

Author: Carmelo Giacovazzo

Publisher: Oxford University Press

ISBN: 0199686998

Category: Science

Page: 480

View: 2774

The book describes phasing techniques in modern crystallography. The main text is dedicated to their simple description, and further mathematical details are contained in the appendices. Practical aspects are described for each specific method, making it a useful tool for the daily work of practising crystallographers.