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Computing Methods In Crystallography
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Book Synopsis Computing Methods in Crystallography by : J. S. Rollett
Download or read book Computing Methods in Crystallography written by J. S. Rollett and published by Elsevier. This book was released on 2016-06-06 with total page 267 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Computing Methods in Crystallography by : John Sidney Rollett
Download or read book Computing Methods in Crystallography written by John Sidney Rollett and published by . This book was released on 1965-07-01 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computing Methods in Crystallography by : Tosio Sakurai
Download or read book Computing Methods in Crystallography written by Tosio Sakurai and published by . This book was released on 1979 with total page 135 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematics of transformation; Algebra of linear transformation; Transformation of the crystal lattice; Simmetry operations; Fourier transformation; Practical procedures in crystallographic computing; Basic considerations; Data reduction; Structure factor and least squares; Fourier synthesis; Molecular model building.
Book Synopsis International Tables for Crystallography, Volume B by : Uri Shmueli
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.
Book Synopsis Crystallographic Computing by : F. R. Ahmed
Download or read book Crystallographic Computing written by F. R. Ahmed and published by Munksgaard. This book was released on 1970 with total page 402 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis COMPUTING METHODS IN CRYSTALLOGRAPHY- MEETING- PAPERS. by :
Download or read book COMPUTING METHODS IN CRYSTALLOGRAPHY- MEETING- PAPERS. written by and published by . This book was released on with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computing Methods in Crystallography. Edited by J.S. Rollett. [By Various Authors.]. by : John Sydney ROLLETT
Download or read book Computing Methods in Crystallography. Edited by J.S. Rollett. [By Various Authors.]. written by John Sydney ROLLETT and published by . This book was released on 1965 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Crystallographic Computing Techniques by : F. R. Ahmed
Download or read book Crystallographic Computing Techniques written by F. R. Ahmed and published by . This book was released on 1976 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Crystallographic Computing 4 by : N. W. Isaacs
Download or read book Crystallographic Computing 4 written by N. W. Isaacs and published by . This book was released on 1988 with total page 488 pages. Available in PDF, EPUB and Kindle. Book excerpt: This collection of papers originally presented in 1987 at The International School on Crystallographic Computing is largely concerned with methods of single-crystal structure determination, with an emphasis on direct methods and on methods applicable to protein crystallography. In addition there are contributions on fiber diffraction and electron diffraction techniques. Programming methods for assessing data bases are presented as are introductions to symbolic programming and programming for array processors.
Book Synopsis Current Methods and Optimization Algorithms for the Refinement of X-Ray Crystal Structures by : J. Uria
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:
Book Synopsis Computational Crystallography by : David Sayre
Download or read book Computational Crystallography written by David Sayre and published by Oxford [Oxfordshire] : Clarendon Press. This book was released on 1982 with total page 590 pages. Available in PDF, EPUB and Kindle. Book excerpt: Papers presented at the International Summer School on Crystallography Computing, Carleton University, Ottawa, August 7-15, 1981.
Book Synopsis Theory and Practice of Direct Methods in Crystallography by : M. F. C. Ladd
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.
Book Synopsis Methods and Applications in Crystallographic Computing by : Sydney R. Hall
Download or read book Methods and Applications in Crystallographic Computing written by Sydney R. Hall and published by Oxford University Press, USA. This book was released on 1984 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thirty-five international authorities offer comprehensive review of current computing techniques in crystal-structure analysis. The volume contains sections on data measurement and processing, solution techniques, refinement techniques, accurate electron density analysis, computer software and hardware data-base techniques, and computer graphics. There are also contributions on powder methods and electron diffraction and microscopy.
Book Synopsis Foundations of Crystallography with Computer Applications by : Maureen M. Julian
Download or read book Foundations of Crystallography with Computer Applications written by Maureen M. Julian and published by CRC Press. This book was released on 2011-03-05 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: X-ray crystallography provides a unique opportunity to study the arrangement of atoms in a molecule. This book's modern computer-graphics centered approach facilitates the extrapolation of these valuable observations. A unified treatment of crystal systems, the book explains how atoms are arranged in crystals using the metric matrix. Featuring t
Download or read book Computing in Crystallography written by and published by . This book was released on 1978 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Structure Determination by X-ray Crystallography by : Mark F.C. Ladd
Download or read book Structure Determination by X-ray Crystallography written by Mark F.C. Ladd and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 850 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Computing Methods and the Phase Problem in X-ray Crystal Analysis by : Ray Pepinsky
Download or read book Computing Methods and the Phase Problem in X-ray Crystal Analysis written by Ray Pepinsky and published by . This book was released on 1961 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt:
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