Download or read book Solution of the Phase Problem written by Herbert Hauptman and published by . This book was released on 1953 with total page 87 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Solution of the Phase Problem written by Herbert Aaron Hauptman and published by . This book was released on 1953 with total page 114 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Solution of the Phase Problem I The Centrosystemmetric Crystal written by Herbert Aaron Hauptman and published by . This book was released on 1953 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Crystal Structure Determination written by H. Hauptman and published by Springer. This book was released on 2013-04-17 with total page 410 pages. Available in PDF, EPUB and Kindle. Book excerpt: The central theme of this monograph is that the cosine seminvariants are the key to crystal structures. The cosine seminvariants are the cosines of those linear combinations of the phases (the so-called structure seminvariants) whose values, for a given functional form for the geometric structure factor, are uniquely determined by the crystal structure alone and are there fore independent of the choice of permissible origin. It follows that the cosine seminvariants themselves are uniquely determined, in general, by the observed magnitudes of the normalized structure factors. The values of the cosine seminvariants in turn lead unambiguously to the values of the individual phases and thus to the crystal structure by means of the E-map (Fourier synthesis). It is this property of the cosine seminvariants, that they serve to link the observed magnitudes with the desired phases of the normalized structure factors, which accounts for their importance and explains the emphasis which is here placed on their role.
Download or read book Crystal Symmetries written by B. K. Vainshtein and published by Elsevier. This book was released on 2017-07-26 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Lecture Notes on Computational Structural Biology written by Zhijun Wu and published by World Scientific. This book was released on 2008 with total page 243 pages. Available in PDF, EPUB and Kindle. Book excerpt: While the field of computational structural biology or structural bioinformatics is rapidly developing, there are few books with a relatively complete coverage of such diverse research subjects studied in the field as X-ray crystallography computing, NMR structure determination, potential energy minimization, dynamics simulation, and knowledge-based modeling. This book helps fill the gap by providing such a survey on all the related subjects. Comprising a collection of lecture notes for a computational structural biology course for the Program on Bioinformatics and Computational Biology at Iowa State University, the book is in essence a comprehensive summary of computational structural biology based on the author's own extensive research experience, and a review of the subject from the perspective of a computer scientist or applied mathematician. Readers will gain a deeper appreciation of the biological importance and mathematical novelty of the research in the field.
Download or read book 21st Century Challenges in Chemical Crystallography I written by D. Michael P. Mingos and published by Springer Nature. This book was released on 2021-01-20 with total page 285 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume summarises recent developments and possible future directions for small molecule X-ray crystallography. It reviews specific areas of crystallography which are rapidly developing and places them in a historical context. The interdisciplinary nature of the technique is emphasised throughout. It introduces and describes the chemical crystallographic and synchrotron facilities which have been at the cutting edge of the subject in recent decades. The introduction of new computer-based algorithms has proved to be very influential and stimulated and accelerated the growth of new areas of science. The challenges which will arise from the acquisition of ever larger databases are considered and the potential impact of artificial intelligence techniques stressed. Recent advances in the refinement and analysis of X-ray crystal structures are highlighted. In addition the recent developments in time resolved single crystal X-ray crystallography are discussed. Recent years have demonstrated how this technique has provided important mechanistic information on solid-state reactions and complements information from traditional spectroscopic measurements. The volume highlights how the prospect of being able to routinely “watch” chemical processes as they occur provides an exciting possibility for the future. Recent advances in X-ray sources and detectors that have also contributed to the possibility of dynamic single-crystal X-ray diffraction methods are presented. The coupling of crystallography and quantum chemical calculations provides detailed information about electron distributions in crystals and has resulted in a more detailed understanding of chemical bonding. The volume will be of interest to chemists and crystallographers with an interest in the synthesis, characterisation and physical and catalytic properties of solid-state materials. Postgraduate students entering the field will benefit from a historical introduction to the subject and a description of those techniques which are currently used. Since X-ray crystallography is used so widely in modern chemistry it will serve to alert senior chemists to those developments which will become routine in coming decades. It will also be of interest to the broad community of computational chemists who study chemical systems.
Download or read book Encyclopedia of Computer Science and Technology written by Jack Belzer and published by CRC Press. This book was released on 1977-02-01 with total page 518 pages. Available in PDF, EPUB and Kindle. Book excerpt: "This comprehensive reference work provides immediate, fingertip access to state-of-the-art technology in nearly 700 self-contained articles written by over 900 international authorities. Each article in the Encyclopedia features current developments and trends in computers, software, vendors, and applications...extensive bibliographies of leading figures in the field, such as Samuel Alexander, John von Neumann, and Norbert Wiener...and in-depth analysis of future directions."
Download or read book International Tables for Crystallography Volume B written by Uri Shmueli and published by Springer Science & Business Media. This book was released on 2008-08-27 with total page 704 pages. Available in PDF, EPUB and Kindle. Book excerpt: International Tables for Crystallography are no longer available for purchase from Springer. For further information please contact Wiley Inc. (follow the link on the right hand side of this page). Volume B presents accounts of the numerous aspects of reciprocal space in crystallographic research. After an introductory chapter, Part 1 presents the reader with an account of structure-factor formalisms, an extensive treatment of the theory, algorithms and crystallographic applications of Fourier methods, and fundamental as well as advanced treatments of symmetry in reciprocal space. In Part 2, these general accounts are followed by detailed expositions of crystallographic statistics, the theory of direct methods, Patterson techniques, isomorphous replacement and anomalous scattering, and treatments of the role of electron microscopy and diffraction in crystal structure determination, including applications of direct methods to electron crystallography. Part 3 deals with applications of reciprocal space to molecular geometry and `best'-plane calculations, and contains a treatment of the principles of molecular graphics and modelling and their applications. A convergence-acceleration method of importance in the computation of approximate lattice sums is presented and the part concludes with a discussion of the Ewald method. Part 4 contains treatments of various diffuse-scattering phenomena arising from crystal dynamics, disorder and low dimensionality (liquid crystals), and an exposition of the underlying theories and/or experimental evidence. Polymer crystallography and reciprocal-space images of aperiodic crystals are also treated. Part 5 of the volume contains introductory treatments of the theory of the interaction of radiation with matter (dynamical theory) as applied to X-ray, electron and neutron diffraction techniques. The simplified trigonometric expressions for the structure factors in the 230 three-dimensional space groups, which appeared in Volume I of International Tables for X-ray Crystallography, are now given in Appendix 1.4.3 to Chapter 1.4 of this volume. Volume B is a vital addition to the library of scientists engaged in crystal structure determination, crystallographic computing, crystal physics and other fields of crystallographic research. Graduate students specializing in crystallography will find much material suitable for self-study and a rich source of references to the relevant literature.
Download or read book Physical Chemistry Of Solids Basic Principles Of Symmetry And Stability Of Crystalline Solids written by Fritz Franzen and published by World Scientific. This book was released on 1994-01-19 with total page 297 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is about the underlying principles of symmetry, thermodynamics and electronic structure that pertain to crystalline solids. After years of teaching graduate students in the areas covered, the author has a good idea of what major notions of group theory and thermodynamics are useful to students of solid state chemistry, and of what fundamental concepts are necessary for a clear understanding. Thus the book deals with lattice symmetry, space groups, reciprocal space, Landau theory, X-ray diffraction, heterogeneous equilibria and simple band theory, in a rigorous and thorough treatment.
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 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 Structural Electron Crystallography written by D.L. Dorset and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 455 pages. Available in PDF, EPUB and Kindle. Book excerpt: This authoritative text on electron diffraction and crystal structure analysis is the first to describe direct phasing techniques in electron crystallography. Written for electron diffractionists and electron microscopists, this fully illustrated volume presents methods for specimen preparation, data collection and structure analysis. Chapters feature numerous detailed examples of actual structure analyses and contain over 350 illustrations.
Download or read book Advances in Electronics and Electron Physics written by and published by Academic Press. This book was released on 1994-05-18 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Electronics and Electron Physics
Download or read book Fundamentals of Crystallography written by Carmelo Giacovazzo and published by Oxford University Press, USA. This book was released on 2002 with total page 860 pages. Available in PDF, EPUB and Kindle. Book excerpt: In recent years crystallographic techniques have found applications in a wide range of subjects, and these applications in turn have led to exciting developments in the field of crystallography itself. This completely revised text offers a rigorous treatment of the theory and describes experimental applications in many fields: crystal symmetry, crystallographic computing, X-ray diffraction, crystal structure solution, mineral and inorganic crystal chemistry, protein crystallography, crystallography of real crystals, and crystal physics. A set of pedagogical tools on CD-ROM has been added to this new edition.
Download or read book Report of NRL Progress written by Naval Research Laboratory (U.S.) and published by . This book was released on 1961 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Advances in Chemical Physics written by Ilya Prigogine and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 420 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.
