X-ray crystallography
著者
書誌事項
X-ray crystallography
University Science Books, c2016
- : hard
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注記
Bibliography: p. 487-489
Includes index
内容説明・目次
内容説明
X-Ray Crystallography is a well-balanced, thorough, and clearly written introduction to the most important and widely practiced technique to determine the arrangement of atoms in molecules and solids. Featuring excellent illustrations and homework problems throughout, the book is intended both for advanced undergraduate and graduate students who are learning the subject for the first time, as well as for those who have practical experience but seek a text summarizing the theory of diffraction and X-ray crystallography. It is organized into three parts: Part 1 deals with symmetry and space groups, Part 2 explains the physics of X rays and diffraction, and Part 3 examines the methods for solving and refining crystal structures. The discussion proceeds in a logical and clear fashion from the fundamentals through to advanced topics such as disorder, twinning, microfocus sources, low energy electron diffraction, charge flipping, protein crystallography, the maximum likelihood method of refinement, and powder, neutron, and electron diffraction. The author's clear writing style and distinctive approach is well suited for chemists, biologists, materials scientists, physicists, and scientists from related disciplines.
目次
PART I: SYMMETRY AND SPACE GROUPS .- Introduction.- Point Symmetry Operations.- Point Groups
Periodicity.- Travel Symmetry Operations.- One and Two-Dimensional Lattices.- Three-Dimensional Lattices.- Two-Dimensional Plane Groups.- Equivalent Positions.- Three-Dimensional Space Groups, Part 1.- Three-Dimensional Space Groups, Part 2.- Three-Dimensional Space Groups, Part 3.- PART II: X-RAYS AND DIFFRACTION.- Generation of X-rays.- Diffractometers and Data Collection.- Scattering from a Single Electron.- Scattering from Atoms.- Diffraction from One-Dimensional Arrays
Diffraction from Two and Three-Dimensional Arrays.- Reciprocal Space and Miller Indices.- Bragg's Law, Scattering Planes, and d-Spacings.- The Limiting Sphere, Resolution, and Indexing.- Reflection Intensities.- Structure Factors and Argand Diagrams.- Phases, Friedel's Law, and Laue classes.- Centrosymmetry and Chirality.- Reflection Conditions.- Determining the Space Group of a Crystal.- PART III: SOLVING AND REFINING CRYSTAL STRUCTURES .- Fourier Transforms in Crystallography.- Trial and Error Methods.- Charge Flipping.- The Patterson Method.- The Heavy Atom Approximation.- Protein Crystal Structures.- Direct Methods, Part 1.- Direct Methods, Part 2.- Refining Crystal Structures
Occupancy, Displacement Parameters, and Disorder.- Twinning.- Examples of Twinned Crystals.- Mistakes and Pitfalls.- Powder X-ray Diffraction.- Electron and Neutron Diffraction.- Appendix A Vector Tutorial.- Appendix B The Ewald Sphere.- Appendix C Atomic Scattering Factors.- Appendix D The Patterson Function.- Appendix E Introduction to SHELX.- Appendix F In-class Demonstration of Diffraction.- Bibliography.- Index.
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