X Ray Structure Determination

Author : M. Ladd
Publisher : Springer Science & Business Media
Page : 404 pages
File Size : 47,6 Mb
Release : 2012-12-06
Category : Science
ISBN : 9781461579304

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Structure Determination by X-Ray Crystallography by M. Ladd Pdf

Crystallography may be described as the science of the structure of materi als, using this word in its widest sense, and its ramifications are apparent over a broad front of current scientific endeavor. It is not surprising, therefore, to find that most universities offer some aspects of crystallography in their undergraduate courses in the physical sciences. It is the principal aim of this book to present an introduction to structure determination by X-ray crystal lography that is appropriate mainly to both final-year undergraduate studies in crystallography, chemistry, and chemical physics, and introductory post graduate work in this area of crystallography. We believe that the book will be of interest in other disciplines, such as physics, metallurgy, biochemistry, and geology, where crystallography has an important part to play. In the space of one book, it is not possible either to cover all aspects of crystallography or to treat all the subject matter completely rigorously. In particular, certain mathematical results are assumed in order that their applications may be discussed. At the end of each chapter, a short bibliog raphy is given, which may be used to extend the scope of the treatment given here. In addition, reference is made in the text to specific sources of information. We have chosen not to discuss experimental methods extensively, as we consider that this aspect of crystallography is best learned through practical experience, but an attempt has been made to simulate the interpretive side of experimental crystallography in both examples and exercises.

Author : Mark Ladd,Rex Palmer
Publisher : Springer Science & Business Media
Page : 784 pages
File Size : 42,7 Mb
Release : 2014-07-08
Category : Science
ISBN : 9781461439547

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Structure Determination by X-ray Crystallography by Mark Ladd,Rex Palmer Pdf

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 : George H. Stout,Lyle H. Jensen
Publisher : John Wiley & Sons
Page : 484 pages
File Size : 41,6 Mb
Release : 1989-05-08
Category : Science
ISBN : 9780471607113

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X-Ray Structure Determination by George H. Stout,Lyle H. Jensen Pdf

Closely follows an actual structural determination. After some introductory material on the nature of x-rays, the diffraction process, and the internal geometry of crystals, the selection and preparation of a crystal are considered. Techniques of measuring raw x-ray data are covered, plus their reduction into a useable form. The second part discusses both traditional and novel methods of solving the ``phase'' problem, the principal difficulty in x-ray structure determination. The third part considers how to extract the most information from the data and how to evaluate its reliability. Finally, there is a discussion of sources of error in practice and interpretation.

Author : George H. Stout,Lyle H. Jensen
Publisher : Wiley-Interscience
Page : 488 pages
File Size : 42,6 Mb
Release : 1989-05-08
Category : Science
ISBN : UCSD:31822002462455

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X-Ray Structure Determination by George H. Stout,Lyle H. Jensen Pdf

Closely follows an actual structural determination. After some introductory material on the nature of x-rays, the diffraction process, and the internal geometry of crystals, the selection and preparation of a crystal are considered. Techniques of measuring raw x-ray data are covered, plus their reduction into a useable form. The second part discusses both traditional and novel methods of solving the ``phase'' problem, the principal difficulty in x-ray structure determination. The third part considers how to extract the most information from the data and how to evaluate its reliability. Finally, there is a discussion of sources of error in practice and interpretation.

Author : M. Ladd
Publisher : Springer Science & Business Media
Page : 586 pages
File Size : 43,6 Mb
Release : 2013-03-07
Category : Science
ISBN : 9781461517931

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Structure Determination by X-ray Crystallography by M. Ladd Pdf

X-ray crystallography provides us with the most accurate picture we can get of atomic and molecular structures in crystals. It provides a hard bedrock of structural results in chemistry and in mineralogy. In biology, where the structures are not fully crystalline, it can still provide valuable results and, indeed, the impact here has been revolutionary. It is still an immense field for young workers, and no doubt will provide yet more striking developments of a major character. It does, however, require a wide range of intellectual application, and a considerable ability in many fields. This book will provide much help. It is a very straightforward and thorough guide to every aspect of the subject. The authors are ex perienced both as research workers and as teachers of standing, and this is shown in their clarity of exposition. There are plenty of illustrations and worked examples to aid the student to obtain a real grasp of the subject. The practical side is encouraged by the very clarity of the theory.

Author : M. F. C. Ladd
Publisher : Springer Science & Business Media
Page : 404 pages
File Size : 51,6 Mb
Release : 2012-12-06
Category : Science
ISBN : 9781461579335

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Structure Determination by X-Ray Crystallography by M. F. C. Ladd Pdf

Crystallography may be described as the science of the structure of materi als, using this word in its widest sense, and its ramifications are apparent over a broad front of current scientific endeavor. It is not surprising, therefore, to find that most universities offer some aspects of crystallography in their undergraduate courses in the physical sciences. It is the principal aim of this book to present an introduction to structure determination by X-ray crystal lography that is appropriate mainly to both final-year undergraduate studies in crystallography, chemistry, and chemical physics, and introductory post graduate work in this area of crystallography. We believe that the book will be of interest in other disciplines, such as physics, metallurgy, biochemistry, and geology, where crystallography has an important part to play. In the space of one book, it is not possible either to cover all aspects of crystallography or to treat all the subject matter completely rigorously. In particular, certain mathematical results are assumed in order that their applications may be discussed. At the end of each chapter, a short bibliog raphy is given, which may be used to extend the scope of the treatment given here. In addition, reference is made in the text to specific sources of information. We have chosen not to discuss experimental methods extensively, as we consider that this aspect of crystallography is best learned through practical experience, but an attempt has been made to simulate the interpretive side of experimental crystallography in both examples and exercises.

Author : Yoshio Waseda,Eiichiro Matsubara,Kozo Shinoda
Publisher : Springer Science & Business Media
Page : 320 pages
File Size : 55,5 Mb
Release : 2011-03-18
Category : Technology & Engineering
ISBN : 9783642166358

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X-Ray Diffraction Crystallography by Yoshio Waseda,Eiichiro Matsubara,Kozo Shinoda Pdf

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.

Author : M. Ladd,Rex Alfred Palmer
Publisher : Springer
Page : 536 pages
File Size : 48,9 Mb
Release : 1985-06
Category : Science
ISBN : UCSD:31822001671460

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Structure Determination by X-Ray Crystallography by M. Ladd,Rex Alfred Palmer Pdf

This book is an account of crystal symmetry and optical and e-ray diffraction techniques for examining single crystals. It includes the solution of crystal structures by the current methods, worked examples of crystal structure determination, problems and solutions for each chapter, and a CD-ROM of supplementary material.

Author : Werner Massa
Publisher : Springer Science & Business Media
Page : 210 pages
File Size : 42,5 Mb
Release : 2013-03-09
Category : Science
ISBN : 9783662042489

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Crystal Structure Determination by Werner Massa Pdf

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.

Author : George H. Stout,Lyle H. Jensen
Publisher : Macmillan College
Page : 467 pages
File Size : 45,5 Mb
Release : 1968-03-01
Category : X-ray crystallography
ISBN : 0024176605

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X-Ray Structure Determination by George H. Stout,Lyle H. Jensen Pdf

Author : Mark F.C. Ladd,Rex A. Palmer
Publisher : Springer Science & Business Media
Page : 850 pages
File Size : 52,9 Mb
Release : 2012-12-06
Category : Science
ISBN : 9781461501015

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Structure Determination by X-ray Crystallography by Mark F.C. Ladd,Rex A. Palmer Pdf

I was highly flattered when I was asked by Mark Ladd and Rex Palmer if I would write the Foreword to this Fourth Edition of their book. "Ladd & Palmer" is such a well-known and classic book on the subject of crystal structure determination, one of the standards in the field: I did feel daunted by the prospect, and wondered if I could do justice to it. The determination of crystal structures by X-ray crystallography has come a long way since the 1912 discoveries of von Laue and the Braggs. In the intervening years great advances have been made, so that today it is almost taken for granted that crystal structures can be determined in which hundreds, if not thousands, of sepa rate atomic positions can be found with apparent ease. In the early years the struc tures of relatively simple materials, such as the alkali halides, were often argued over and even disputed, whereas today we routinely see published structures of most complex molecular crystals, including the structures of viruses and proteins.

Author : Jan Drenth
Publisher : Springer Science & Business Media
Page : 355 pages
File Size : 43,9 Mb
Release : 2013-03-09
Category : Science
ISBN : 9781475730920

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Principles of Protein X-ray Crystallography by Jan Drenth Pdf

New textbooks at all levels of chemistry appear with great regularity. Some fields such as basic biochemistry, organic reaction mechanisms, and chemical thermodynamics are well represented by many excellent texts, and new or revised editions are published sufficiently often to keep up with progress in research. However, some areas of chemistry, especially many of those taught at the graduate level, suffer from a real lack of up to-date textbooks. The most serious needs occur in fields that are rapidly changing. Textbooks in these subjects usually have to be written by scientists actually involved in the research that is advancing the field. It is not often easy to persuade such individuals to set time aside to help spread the knowledge they have accumulated. Our goal, in this series, is to pinpoint areas of chemistry where recent progress has outpaced what is covered in any available textbooks, and then seek out and persuade experts in these fields to produce relatively concise but instructive intro ductions to their fields. These should serve the needs of one-semester or one-quarter graduate courses in chemistry and biochemistry. In some cases, the availability of texts in active research areas should help stimulate the creation of new courses. Charles R. Cantor v Preface to the Second Edition Since the publication of the previous edition in 1994, X-ray crystallography of proteins has advanced by improvements in existing techniques and by addition of new techniques.

Author : Claudio De Rosa,Finizia Auriemma
Publisher : John Wiley & Sons
Page : 478 pages
File Size : 48,5 Mb
Release : 2013-08-26
Category : Technology & Engineering
ISBN : 9781118690796

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Crystals and Crystallinity in Polymers by Claudio De Rosa,Finizia Auriemma Pdf

Provides the tools needed to master and apply the fundamentals of polymer crystallography Using core concepts in physics, chemistry, polymer science and engineering, this book sheds new light on the complex field of polymer crystallography, enabling readers to evaluate polymer crystallization data and determine the best methods to use for their investigations. The authors set forth a variety of tested and proven methods for analyzing ordered and disordered structures in polymer crystals, including X-ray diffraction, electron diffraction, and microscopy. In addition to the basics, the book explores several advanced and emerging topics in the field such as symmetry breaking, frustration, and the principle of density-driven phase formation. Crystals and Crystallinity in Polymers introduces two new concepts in crystallinity and crystals in synthetic polymers. First, crystallinity in polymeric materials is compatible with the absence of true three-dimensional long-range order. Second, the disorder may be described as a structural feature, using the methods of X-ray scattering and electron diffraction analysis. The book begins by introducing the basic principles and methods for building structural models for the conformation of polymer crystal chains. Next, it covers: Packing of macromolecules in polymer crystals Methods for extracting structural parameters from diffraction data Defects and disorder in polymer crystals Analytical methods for diffuse scattering from disordered polymer structures Crystal habit Influence of crystal defects and structural disorder on the physical and mechanical properties of polymeric materials Crystals and Crystallinity in Polymers examines all the possible types of structural disorder generally present in polymer crystals and describes the influence of each kind of disorder on X-ray and electron diffraction patterns. Its comprehensive, expert coverage makes it possible for readers to learn and apply the fundamentals of polymer crystallography to solve a broad range of problems.

Author : C. Suryanarayana,M. Grant Norton
Publisher : Springer Science & Business Media
Page : 275 pages
File Size : 50,6 Mb
Release : 2013-06-29
Category : Technology & Engineering
ISBN : 9781489901484

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X-Ray Diffraction by C. Suryanarayana,M. Grant Norton Pdf

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.

Author : Mark Ladd,Rex Palmer
Publisher : Springer
Page : 756 pages
File Size : 45,5 Mb
Release : 2013-05-01
Category : Science
ISBN : 1461439566

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Structure Determination by X-ray Crystallography by Mark Ladd,Rex Palmer Pdf

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.