Solution Of The Phase Problem Pt 1 The Centrosymmetric Crystal
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Solution Of The Phase Problem Pt 1 The Centrosymmetric Crystal
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Author : H. Hauptman
language : en
Publisher:
Release Date : 1953
Solution Of The Phase Problem Pt 1 The Centrosymmetric Crystal written by H. Hauptman and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1953 with categories.
Crystal Symmetries
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Author : B. K. Vainshtein
language : en
Publisher: Elsevier
Release Date : 2017-07-26
Crystal Symmetries written by B. K. Vainshtein and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-07-26 with Science categories.
Crystal Symmetries is a timely account of the progress in the most diverse fields of crystallography. It presents a broad overview of the theory of symmetry and contains state of the art reports of its modern directions and applications to crystal physics and crystal properties. Geometry takes a special place in this treatise. Structural aspects of phase transitions, correlation of structure and properties, polytypism, modulated structures, and other topics are discussed. Applications of important techniques, such as X-ray crystallography, biophysical studies, EPR spectroscopy, crystal optics, and nuclear solid state physics, are represented. Contains 30 research and review papers.
Theory And Practice Of Direct Methods In Crystallography
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Author : M. F. C. Ladd
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Theory And Practice Of Direct Methods In Crystallography written by M. F. C. Ladd and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Direct methods of crystal structure determination are usually associated with techniques in which phases for a set of structure factors are determined from the corresponding experimental amplitudes by probabilistic calcula tions. It is thus implied that such ab initio phase calculations do not require a knowledge of atomic positions, and this basis distinguishes direct methods from other techniques for structure determination. An acceptably wider interpretation of the term direct methods leads to other important applica tions involving, inter alia, the use of heavy atoms, resolution-limited phase data for large molecules, rotation functions, and Fourier series. These topics are discussed in the later chapters of this book. Although some earlier theoretical investigations were made by Harker and Kaspar, direct methods may be considered to have begun around the year 1950. Important landmarks in the development of the subject include the book by Hauptmann and Karle, The Centrosymmetric Crystal (1953), the definitive paper by Karle and Karle in Acta Crystallographica (1966), and the recent (1978) sophisticated program package MULTAN 78 produced mainly by Germain, Main, and Woolfson. Woolfson's book, Direct Methods in Crystallography, was published in 1961, but because of the rapid progress in direct methods, much of it soon became outmoded. It is interesting to note that direct methods nearly came into being many years earlier. Certainly the E2 relationship was used implicitly by Lonsdale in 1928 in determining the crystal structure of hexamethylbenzene.
Macromolecular Crystallography Part D
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Author : Charles W. Carter Jr.
language : en
Publisher: Gulf Professional Publishing
Release Date : 2003-12-10
Macromolecular Crystallography Part D written by Charles W. Carter Jr. and has been published by Gulf Professional Publishing this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003-12-10 with Business & Economics categories.
Accurate molecular structures is vital for rational drug design and for structure based functional studies directed toward the development of effective therapeutic agents and drugs. Crystallography can reliably predict structure, both in terms of folding and atomic details of bonding. * Phases * Map interpretation and refinement * Analysis and software
Uniting Electron Crystallography And Powder Diffraction
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Author : Ute Kolb
language : en
Publisher: Springer
Release Date : 2012-12-20
Uniting Electron Crystallography And Powder Diffraction written by Ute Kolb and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-20 with Science categories.
The polycrystalline and nanocrystalline states play an increasingly important role in exploiting the properties of materials, encompassing applications as diverse as pharmaceuticals, catalysts, solar cells and energy storage. A knowledge of the three-dimensional atomic and molecular structure of materials is essential for understanding and controlling their properties, yet traditional single-crystal X-ray diffraction methods lose their power when only polycrystalline and nanocrystalline samples are available. It is here that powder diffraction and single-crystal electron diffraction techniques take over, substantially extending the range of applicability of the crystallographic principles of structure determination. This volume, a collection of teaching contributions presented at the Crystallographic Course in Erice in 2011, clearly describes the fundamentals and the state-of-the-art of powder diffraction and electron diffraction methods in materials characterisation, encompassing a diverse range of disciplines and materials stretching from archeometry to zeolites. As such, it is a comprehensive and valuable resource for those wishing to gain an understanding of the broad applicability of these two rapidly developing fields.
Science Of Crystal Structures
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Author : Istvan Hargittai
language : en
Publisher: Springer
Release Date : 2015-09-09
Science Of Crystal Structures written by Istvan Hargittai and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-09-09 with Science categories.
A volume which includes entries on quasicrystals, icosahedral packing, other packing considerations, extended structures, data treatment and data mining is presented by luminaries from the crystallography community. Several of the contributions are from the schools of such trend-setting crystallographers as J. Desmond Bernal and Aleksandr I. Kitaigorodskii. Internationally renowned scientists contributed such as Tom L. Blundell, Johann Jacob Burckhardt, John L. Finney, Jenny P. Glusker, Nobel laureate Herbert A. Hauptman, the 2014 Ewald-Prize winner A. Janner, Aminoff-Prize winner Isabella Karle, Nobel laureate Jerome Karle, Buckley-Prize winner Alan L. Mackay, Ewald-Prize winner David Sayre, Vladimir Shevchenko, and J. Fraser Stoddart. A few frontier topics dominate the selected material. Pioneers of the direct methods describe the phase problem and how it was solved, including the mathematical approach and the utilization of experience with gas-phase electron diffraction. The reviews by Herbert Hauptman, Jerome and Isabella Karle, and David Sayre reach to the present day in assessing the possibilities of X-ray crystallography. Another focus topic is the investigation of systems that are outside the so-called classical system of crystals. They include quasicrystals, imperfect and very small crystals, supramolecular species, crystal structures without lattice, clusters, nanomaterials among others. Application of synchrotron and cryoprotection techniques, the free-electron laser flash technique and others are mentioned in addition to X-ray crystallography. The relationship between structural and materials properties are examined and uncovered. The broader topics of the so-called generalized crystallography include polymers, clusters, polydisperse chain assemblies, and giant icosahedral fullerenes. There are some key contributions related to the structural investigation of biological macromolecules.
Direct Methods For Solving Macromolecular Structures
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Author : S. Fortier
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-06-29
Direct Methods For Solving Macromolecular Structures written by S. Fortier and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-06-29 with Science categories.
This book of the proceedings of the 1997 NATO Advanced Study Institute (ASI) on Direct Methods for Solving Macromolecular Structures was assembled from the lecturers' contributions and represents a comprehensive and in-depth overview of crystallographic structure determination methods for macromolecules. While having a focus based on the direct methods, the Institute adopted an inclusive and broad perspective. Thus, both direct and experimental phasing techniques are presented in this book, highlighting their complementarities and synergies. As weil, methodologies spanning the full crystallographic image reconstruction process - from low resolution envelope definition to high resolution atomic refinement- are discussed. The first part of the book introduces the array of tools currently used in structure determination, whether originating from a mathematical, computational or experimental framework. This section of the book displays the variety and ingenuity of old and new phasing approaches developed to solve increasingly complex structures. Some of the contributions focus on recent developments and/or implementations that have given older approaches a new life. A case in point is the re-implementation of Buerger's superposition approach, which is now solving protein structures. Another beautiful example is found in the introduction to the traditional multiple isomorphous replacement approach where new techniques, such as site-directed mutagenesis and the use of inert gases in the preparation of heavy atom derivatives, are described. Equally impressive are the presentations of newer approaches, which take advantage of advances on the experimental front (e. g.
Crystal Structure Analysis
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Author : Jenny Pickworth Glusker
language : en
Publisher: OUP Oxford
Release Date : 2010-05-27
Crystal Structure Analysis written by Jenny Pickworth Glusker and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-05-27 with Science categories.
This book aims to explain how and why the detailed three-dimensional architecture of molecules can be determined by an analysis of the diffraction patterns obtained when X rays or neutrons are scattered by the atoms in single crystals. Part 1 deals with the nature of the crystalline state, diffraction generally, and diffraction by crystals in particular, and, briefly, the experimental procedures that are used. Part II examines the problem of converting the experimentally obtained data into a model of the atomic arrangement that scattered these beams. Part III is concerned with the techniques for refining the approximate structure to the degree warranted by the experimental data. It also describes the many types of information that can be learned by modern crystal structure analysis. There is a glossary of terms used and several appendixes to which most of the mathematical details have been relegated.
Computing Methods In Crystallography
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Author : J. S. Rollett
language : en
Publisher: Elsevier
Release Date : 2016-06-06
Computing Methods In Crystallography written by J. S. Rollett and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-06-06 with Science categories.
Computing Methods in Crystallography is a collection of lectures delivered at a Summer School, held in Oxford in August 1962. The book presents the underlying mathematics and computing methods in crystallography. The text covers topics on the algebra required for the fundamental operations of transformation of coordinates, interpolation, approximation of trigonometric and exponential functions, solution of linear equations and derivation of latent roots and vectors; methods for calculation of structure factors, least-squares adjustment, and Fourier series evaluation; the theory and practice of intensity scaling and symmetry determination; and methods of direct phase determination. Crystallographers, physicists, and students in allied fields will find the book very useful.
Crystal Structure Analysis
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Author : Martin Julian Buerger
language : en
Publisher:
Release Date : 1980
Crystal Structure Analysis written by Martin Julian Buerger and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1980 with Science categories.