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 International School of Crystallography and published by . This book was released on 1984 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book The Direct Solution of Crystal Structures by a Boolean Programming Optimization Methodology written by David Griffith Klunk and published by . This book was released on 1974 with total page 80 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Journal of Research of the National Institute of Standards and Technology written by and published by . This book was released on 2004 with total page 660 pages. Available in PDF, EPUB and Kindle. Book excerpt: Reports NIST research and development in the physical and engineering sciences in which the Institute is active. These include physics, chemistry, engineering, mathematics, and computer sciences. Emphasis on measurement methodology and the basic technology underlying standardization.
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 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 Structure Determination from Powder Diffraction Data written by William I. F. David and published by OUP Oxford. This book was released on 2002 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: Our understanding of the properties of materials, from drugs and proteins to catalysts and ceramics, is almost always based on structural information. This book describes the new developments in the realm of powder diffraction which make it possible for scientists to obtain such information even from polycrystalline materials. Written and edited by experts active in the field, and covering both the fundamental and applied aspects of structure solution from powder diffraction data, this book guides both novices and experienced practitioners alike through the maze of possibilities.
Download or read book Handbook of Global Optimization written by Panos M. Pardalos and published by Springer Science & Business Media. This book was released on 2013-04-18 with total page 571 pages. Available in PDF, EPUB and Kindle. Book excerpt: In 1995 the Handbook of Global Optimization (first volume), edited by R. Horst, and P.M. Pardalos, was published. This second volume of the Handbook of Global Optimization is comprised of chapters dealing with modern approaches to global optimization, including different types of heuristics. Topics covered in the handbook include various metaheuristics, such as simulated annealing, genetic algorithms, neural networks, taboo search, shake-and-bake methods, and deformation methods. In addition, the book contains chapters on new exact stochastic and deterministic approaches to continuous and mixed-integer global optimization, such as stochastic adaptive search, two-phase methods, branch-and-bound methods with new relaxation and branching strategies, algorithms based on local optimization, and dynamical search. Finally, the book contains chapters on experimental analysis of algorithms and software, test problems, and applications.
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 Phasing in Crystallography written by Carmelo Giacovazzo and published by Oxford University Press on Demand. This book was released on 1998 with total page 767 pages. Available in PDF, EPUB and Kindle. Book excerpt: Direct methods are, at present, applied to a large variety of cases: X-ray, neutron or electron data; single crystal and powder data; small molecules and macromolecules. While direct methods solved in practice the phase problem for small molecules, their application to macromolecules is recentand still undergoing strong development. The fundamentals of the methods are described: in particular it is shown how the methods can be optimized for powder, neutron or electron data, and how they can be integrated with isomorphous replacement, molecular replacement and anomalous dispersiontechniques. Maximum Entropy methods are also described and discussed. Sets of test structures are used to verify, throughout the various chapters, the mathematical techniques there described and to provide practical examples of applications. This book will appeal to a wide variety of readers -offering both a comprehensive description of direct methods in crystallography and an invaluable reference tool. The first three chapters can be considered as an introduction to the field, with sufficient material to constitute a university course and for allowing the expert use of most directmethods programs. Subsequent chapters are aimed at graduate students and working crystallographers. Basic results are described and discussed in the main body of the text, while the appendices compliment these with in depth mathematical details. The quoted literature is extremely wide and theinterested reader can find suggestions for future work and further reading throughout the book.
Download or read book Current Methods and Optimization Algorithms for the Refinement of X Ray Crystal Structures written by J. Uria and published by CRC Press. This book was released on 1999-08-19 with total page 78 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 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: This 1995 book is a complete guide to all crystallographic techniques, for professionals analysing crystal structure.
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 Applied Crystallography written by Henryk Morawiec and published by World Scientific. This book was released on 2004 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book aims to propagate the newest achievements of applied crystallography among crystallographers, solid state physicists and materials scientists. It presents application of structural studies to materials used in industrial practice rather than those associated with the crystal structure determination only. The proceedings have been selected for coverage in: . OCo Materials Science Citation Index-. OCo Index to Scientific & Technical Proceedings- (ISTP- / ISI Proceedings). OCo Index to Scientific & Technical Proceedings (ISTP CDROM version / ISI Proceedings). OCo CC Proceedings OCo Engineering & Physical Sciences. Contents: Ultra High Angle Double-Crystal X-Ray Diffractometry (U-HADOX) (A Okazaki & K Munakata); Microstructure and Lattice Defect Analysis of Highly Deformed Materials by XRD Line Profile Modelling (P Scardi); Beyond the Ability of Rietveld Analysis: Whole-Pattern Fitting Based on the Maximum-Entropy Method (F Izumi); Six-Dimensional Texture Analysis with High-Energy Synchrotron Radiation (H J Bunge); Present State of Knowledge on Quasicrystals (W Steurer); and other papers. Readership: Graduate students, academics and researchers in applied crystallography and materials science."
Download or read book High Pressure Crystallography written by Andrzej Katrusiak and published by Springer Science & Business Media. This book was released on 2004-03-31 with total page 574 pages. Available in PDF, EPUB and Kindle. Book excerpt: Despite the tremendous advances in the techniques and equipment for carrying out high-pressure crystallography, the application or exploration of the high-pressure variable in detailed structural studies remains rare. The chapters in this book provide a set of lecture notes and supplementary material for a course on high pressure crystallography. The material comprises state-of-the-art reviews of high-pressure experiments using X-ray and neutron diffraction techniques at synchrotron and neutron facilities and in the laboratory, as well as complementary experimental high-pressure techniques and theoretical methods for investigating matter at elevated pressures. The materials studies range from elemental solids and liquids to inorganic compounds, minerals, organic compounds, clathrates and pharmaceutical compounds, to large biological molecules such as proteins and viruses. The book provides a reference for workers in high-pressure science wishing to learn more about crystallography and for established crystallographers potentially interested in high pressure as a variable, as well as an introductory guide to new researchers in the field.
Download or read book Analytical Techniques in the Pharmaceutical Sciences written by Anette Müllertz and published by Springer. This book was released on 2016-08-30 with total page 829 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this book is to present a range of analytical methods that can be used in formulation design and development and focus on how these systems can be applied to understand formulation components and the dosage form these build. To effectively design and exploit drug delivery systems, the underlying characteristic of a dosage form must be understood--from the characteristics of the individual formulation components, to how they act and interact within the formulation, and finally, to how this formulation responds in different biological environments. To achieve this, there is a wide range of analytical techniques that can be adopted to understand and elucidate the mechanics of drug delivery and drug formulation. Such methods include e.g. spectroscopic analysis, diffractometric analysis, thermal investigations, surface analytical techniques, particle size analysis, rheological techniques, methods to characterize drug stability and release, and biological analysis in appropriate cell and animal models. Whilst each of these methods can encompass a full research area in their own right, formulation scientists must be able to effectively apply these methods to the delivery system they are considering. The information in this book is designed to support researchers in their ability to fully characterize and analyze a range of delivery systems, using an appropriate selection of analytical techniques. Due to its consideration of regulatory approval, this book will also be suitable for industrial researchers both at early stage up to pre-clinical research.
Download or read book Encyclopedia of Optimization written by Christodoulos A. Floudas and published by Springer Science & Business Media. This book was released on 2008-09-04 with total page 4646 pages. Available in PDF, EPUB and Kindle. Book excerpt: The goal of the Encyclopedia of Optimization is to introduce the reader to a complete set of topics that show the spectrum of research, the richness of ideas, and the breadth of applications that has come from this field. The second edition builds on the success of the former edition with more than 150 completely new entries, designed to ensure that the reference addresses recent areas where optimization theories and techniques have advanced. Particularly heavy attention resulted in health science and transportation, with entries such as "Algorithms for Genomics", "Optimization and Radiotherapy Treatment Design", and "Crew Scheduling".
