Computing Methods In Crystallography
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Computing Methods In Crystallography
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Author : J. S. Rollett
language : en
Publisher: Elsevier
Release Date : 2013-10-22
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 2013-10-22 with Science categories.
Computing Methods in Crystallography is a collection of lectures given at a two-week Summer School held in Oxford, UK in August 1962. About forty-five crystallographers focused on advances in the use of computing methods in crystallography. The discussions are organized around four themes: algebra, statistics, phase determination, and programming. This book is comprised of 20 chapters and begins with an introduction to the algebra required for the fundamental operations of transformation of coordinates, interpolation, and approximation of trigonometric and exponential functions, as well as solution of linear equations and derivation of latent roots and vectors. Methods for calculation of structure factors, least-squares adjustment, Fourier series evaluation, and a number of other operations are described. The statistical properties of reciprocal space are also considered, along with probability methods for centrosymmetric crystals. The final chapter looks at some crystallographic programs in FORTRAN. This monograph will be a valuable resource for crystallographers as well as physics students and researchers interested in the application of computing methods to crystallography.
Computing Methods In Crystallography
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Author : University of Oxford
language : en
Publisher: Pergamon
Release Date : 1965
Computing Methods In Crystallography written by University of Oxford and has been published by Pergamon this book supported file pdf, txt, epub, kindle and other format this book has been release on 1965 with Science categories.
Methods And Applications In Crystallographic Computing
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Author : Sydney R. Hall
language : en
Publisher: Oxford University Press, USA
Release Date : 1984
Methods And Applications In Crystallographic Computing written by Sydney R. Hall and has been published by Oxford University Press, USA this book supported file pdf, txt, epub, kindle and other format this book has been release on 1984 with Computers categories.
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.
Computing Methods In Crystallography
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Author : Tosio Sakurai
language : en
Publisher:
Release Date : 1979
Computing Methods In Crystallography written by Tosio Sakurai and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1979 with categories.
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.
Crystallographic Computing Techniques
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Author : F. R. Ahmed
language : en
Publisher:
Release Date : 1976
Crystallographic Computing Techniques written by F. R. Ahmed and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1976 with Science categories.
Computing In Crystallography
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Author :
language : en
Publisher:
Release Date : 1978
Computing In Crystallography written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1978 with Science categories.
Theory And Practice Of Direct Methods In Crystallography
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Author : M. F. C. Ladd
language : en
Publisher: Springer
Release Date : 1980-01-31
Theory And Practice Of Direct Methods In Crystallography written by M. F. C. Ladd and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1980-01-31 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.
Computing Methods In Crystallography Meeting Papers
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Author :
language : en
Publisher:
Release Date :
Computing Methods In Crystallography Meeting Papers written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on with categories.
Crystallographic Computing
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Author : F. R. Ahmed
language : en
Publisher: Munksgaard
Release Date : 1970
Crystallographic Computing written by F. R. Ahmed and has been published by Munksgaard this book supported file pdf, txt, epub, kindle and other format this book has been release on 1970 with Science categories.
Computing In Crystallography
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Author : Robert Diamond
language : en
Publisher:
Release Date : 1980
Computing In Crystallography written by Robert Diamond and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1980 with Crystallography categories.