Solution Of The Phase Problem I The Centrosystemmetric Crystal
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Solution Of The Phase Problem Pt 1 The Centrosymmetric Crystal
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Author : H. Hauptman
language : en
Publisher:
Release Date : 1953
Solution Of The Phase Problem Pt 1 The Centrosymmetric Crystal written by H. Hauptman and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1953 with categories.
Solution Of The Phase Problem
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Author : Herbert Hauptman
language : en
Publisher:
Release Date : 1953
Solution Of The Phase Problem written by Herbert Hauptman and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1953 with Crystallography, Mathematical categories.
Crystal Structure Determination
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Author : H. Hauptman
language : en
Publisher: Springer
Release Date : 2013-04-17
Crystal Structure Determination written by H. Hauptman and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-17 with Science categories.
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.
21st Century Challenges In Chemical Crystallography I
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Author : D. Michael P. Mingos
language : en
Publisher: Springer Nature
Release Date : 2021-01-20
21st Century Challenges In Chemical Crystallography I written by D. Michael P. Mingos and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-01-20 with Science categories.
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.
Solution Of The Phase Problem
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Author : Herbert Aaron Hauptman
language : en
Publisher:
Release Date : 1953
Solution Of The Phase Problem written by Herbert Aaron Hauptman and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1953 with Crystallography categories.
Advances In Electronics And Electron Physics
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Author :
language : en
Publisher: Academic Press
Release Date : 1994-05-18
Advances In Electronics And Electron Physics written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994-05-18 with Computers categories.
Advances in Electronics and Electron Physics
International Tables For Crystallography Volume B
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Author : U. Shmueli
language : en
Publisher: John Wiley & Sons
Release Date : 2008-08-25
International Tables For Crystallography Volume B written by U. Shmueli and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-08-25 with Science categories.
International Tables for Crystallography is the definitive resource and reference work for crystallography and structural science. Volume B presents accounts of the numerous aspects of reciprocal space in crystallographic research. This volume 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. New to this edition: A new chapter on modern extensions of the Ewald method for Coulomb interactions in crystals. Three new sections on electron diffraction and electron microscopy in structure determination, describing point-group and space-group determination by convergent-beam electron diffraction, three-dimensional reconstruction, and single-particle reconstruction. Substantial revisions to the chapters on space-group representations in reciprocal space, direct methods, Patterson and molecular replacement techniques, and disorder diffuse scattering More information on the series can be found at: http://it.iucr.org
Multiple Diffraction Of X Rays In Crystals
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Author : Shih-Lin In-Hang
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Multiple Diffraction Of X Rays In Crystals written by Shih-Lin In-Hang and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
The three-dimensional arrangement of atoms and molecules in crystals and the comparable magnitude of x-ray wavelengths and interatomic distances make it possible for crystals to have more than one set of atomic planes that satisfy Bragg's law and simultaneously diffract an incident x-ray beam - this is the so-called multiple diffraction. This type of diffraction should, in prin ciple, reflect three-dimensional information about the structure of the dif fracting material. Recent progress in understanding this diffraction phenome non and in utilizing this diffraction technique in solid-state and materials sciences reveals the diversity as well as the importance of multiple diffraction of x-rays in application. Unfortunately, there has been no single book written that gives a sys tematic review of this type of diffraction, encompasses its diverse applica tions, and foresees future trends gf development. It is for this purpose that this book is designed. It is hoped that its appearance may possibly turn more attention of condensed-matter physicists, chemists and material scientists toward this particular phenomenon, and that new methods of non-destructive analysis of matter using this diffraction technique may be developed in the future.
Physical Chemistry Of Solids Basic Principles Of Symmetry And Stability Of Crystalline Solids
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Author : Fritz Franzen
language : en
Publisher: World Scientific
Release Date : 1994-01-19
Physical Chemistry Of Solids Basic Principles Of Symmetry And Stability Of Crystalline Solids written by Fritz Franzen and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994-01-19 with Science categories.
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.
Direct Methods For Solving Macromolecular Structures
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Author : S. Fortier
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-06-29
Direct Methods For Solving Macromolecular Structures written by S. Fortier and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-06-29 with Science categories.
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.