Download or read book Direct Methods of Solving Crystal Structures written by Henk Schenk and published by Springer. This book was released on 1991 with total page 464 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the 18th course of the International School of Crystallography, held April 1990, in Erice, Italy. Annotation copyrighted by Book News, Inc., Portland, OR
Download or read book Theory and Practice of Direct Methods in Crystallography written by M. F. C. Ladd and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 432 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Direct Methods for Solving Macromolecular Structures written by S. Fortier and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 505 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book The Direct Methods for Solving Non centrosymmetric Crystal Structures and the Application of Them to Silicon Diphosphide Single Crystals written by Y. L. Lee and published by . This book was released on 1970 with total page 93 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Physical and Non Physical Methods of Solving Crystal Structures written by Michael M. Woolfson and published by Cambridge University Press. This book was released on 1995-06-15 with total page 290 pages. Available in PDF, EPUB and Kindle. Book excerpt: Michael Woolfson and Fan Hai-fu describe all the available methods of solving crystal structure and how they are used. In addition to traditional means such as the use of the Patterson function and isomorphous replacement, and the direct methods, the authors include techniques that use anomalous scattering and observations from multiple-beam scattering. The fundamental physics and mathematical analyses are fully explained. Practical aspects of applying the methods are also emphasized.
Download or read book Determination of Crystal Structures by Direct Methods written by Frederick Tsun-Chai Leung and published by . This book was released on 1967 with total page 162 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Direct Methods Optimised for Solving Crystal written by and published by DIANE Publishing. This book was released on with total page 8 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Direct Methods of Solving Crystal Structures written by and published by . This book was released on 1978 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Theory and Practice of Direct Methods in Crystallography written by 3Island Press and published by . This book was released on 1980-01-31 with total page 436 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Expo written by A. Altomare and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Molecular Structure written by Norman L. Allinger and published by John Wiley & Sons. This book was released on 2010-12-15 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: A guide to analyzing the structures and properties of organic molecules Until recently, the study of organic molecules has traveled down two disparate intellectual paths—the experimental, or physical, method and the computational, or theoretical, method. Working somewhat independently of each other, these disciplines have guided research for decades, but they are now being combined efficiently into one unified strategy. Molecular Structure delivers the essential fundamentals on both the experimental and computational methods, then goes further to show how these approaches can join forces to produce more effective analysis of the structure and properties of organic compounds by: Looking at experimental structures: electron, neutron, X-ray diffraction, and microwave spectroscopy as well as computational structures: ab initio, semi-empirical molecular orbital, and molecular mechanics calculations Discussing various electronic effects, particularly stereoelectronic effects, including hyperconjugation, negative hyperconjugation, the Bohlmann and anomeric effects, and how and why these cause changes in structures and properties of molecules Illustrating complex carbohydrate effects such as the gauche effect, the delta-two effect, and the external anomeric torsional effect Covering hydrogen bonding, the CH bond, and how energies, especially heats of formation, can be affected Using molecular mechanics to tie all of these things together in the familiar language of the organic chemist, valence bond pictures Authored by a founding father of computational chemistry, Molecular Structure broadens the scope of the subject by serving as a pioneering guide for workers in the fields of organic, biological, and computational chemistry, as they explore new possibilities to advance their discoveries. This work will also be of interest to many of those in tangential or dependent fields, including medicinal and pharmaceutical chemistry and pharmacology.
Download or read book Science of Crystal Structures written by Istvan Hargittai and published by Springer. This book was released on 2015-09-09 with total page 331 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Ninth European Powder Diffraction Conference written by and published by Walter de Gruyter GmbH & Co KG. This book was released on 2015-10-29 with total page 688 pages. Available in PDF, EPUB and Kindle. Book excerpt: Zeitschrift für Kristallographie. Supplement Volume 23 presents the complete Proceedings of all contributions to the IX European Powder Diffraction Conference in Prague 2004: Method Development and Application Instrumental Software Development Materials Supplement Series of Zeitschrift für Kristallographie publishes Proceedings and Abstracts of international conferences on the interdisciplinary field of crystallography.
Download or read book Amino Acids Peptides and Proteins written by J H Jones and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 434 pages. Available in PDF, EPUB and Kindle. Book excerpt: Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 80 years the Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Download or read book Direct and Patterson Methods of Solving Crystal Structures written by and published by . This book was released on 1970 with total page 34 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Electron Crystallography written by Xiaodong Zou and published by Oxford University Press. This book was released on 2011-08-18 with total page 345 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the modern world of ever smaller devices and nanotechnology, electron crystallography emerges as the most important method capable of determining the structure of minute objects down to the size of individual atoms. Crystals of only a few millionths of a millimetre are studied. This is the first textbook explaining how this is done. Great attention is given to symmetry in crystals and how it manifests itself in electron microscopy and electron diffraction, and how this symmetry can be determined and taken advantage of in achieving improved electron microscopy images and solving crystal structures from electron diffraction patterns. Theory and practice are combined; experimental images, diffraction patterns, formulae and numerical data are discussed in parallel, giving the reader a complete understanding of what goes on inside the "black boxes" of computer programs. This up-to-date textbook contains the newest techniques in electron crystallography, including detailed descriptions and explanations of the recent remarkable successes in determining the very complex structures of zeolites and intermetallics. The controversial issue of whether there is phase information present in electron micrsocopy images or not is also resolved once and for all. The extensive appendices include computer labs which have been used at various courses at Stockholm University and international schools in electron crystallography, with applications to the textbook. Students can download image processing programs and follow these lab instructions to get a hands-on experience of electron crystallography.
Download or read book Biocomputation and Biomedical Informatics Case Studies and Applications written by Lazakidou, Athina A. and published by IGI Global. This book was released on 2009-11-30 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: "This book provides a compendium of terms, definitions, and explanations of concepts, processes, and acronyms"--Provided by publisher.
