Structure Determination by X-ray Crystallography
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Structure Determination by X-ray Crystallography

Structure Determination by X-ray Crystallography


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About the Book

There have been many advances in x-ray crystallography since the production of the third edition of this book, and the authors have endeavoured to introduce a number of them into this edition. The overall plan of the book has been maintained because we believe that it has been well received in the academic community, but substantial revisions have been carried out and new material and chapters added. In particular, we have extended the discussion of the theory of x-ray diffraction and added new chapters on structure determination from powder data, on macromolecular crystallography, and on computational procedures in x-ray crystallography. We consider that x-ray crystallography is a universal tool for studying molecular structure, a view upheld by the pioneers in the subject, notably W.H. & W.L. Bragg, J.D. Bernal, Dorothy Hodgkin (nee Crowfoot), Kathleen Lonsdale (nee Yardley), and Linus Pauling, so that the broadening of the scope of the text in this way is fully justified. We have maintained the practice of devising problems to illustrate the work of each chapter, and have provided detailed, tutorial solutions. The appendices contain mostly mathematical procedures related to the material of the main text. This edition is accompanied by a suite of computer programs on a compact disc. The programs enable the reader to participate fully in many of the aspects of x-ray crystallography discussed in the book. In particular, the program system XRAY* is interactive, and enables the reader to follow through, at the monitor screen, the computational techniques involved in single-crystal structure determination, albeit in two dimensions. Several sets of x-ray data are provided for practice with this system. There are many good things about the book; the most important is the wide range of examples and applications of solids that are described, which gives the book an interesting slant. Another is the simple use of a single colour, plus black, in many of the diagrams, which makes many of them much easier to understand - this was approved by my own students. Every chapter has a problem and answer section, which is also very welcome, and a further reading list.

Table of Contents:
1 Crystal Morphology and Crystal Symmetry.- 2 Lattices and Space-Group Theory.- 3 I X-rays, X-ray Diffraction, and Structure Factors II Intensities and Intensity Statistics.- 4 I Optical and X-ray Examination of Crystals II Measurement of Intensity Data from Single Crystals.- 5 Fourier Series and Fourier Transforms.- 6 Fourier Techniques in X-ray Structure Determination.- 7 Direct Methods and Refinement.- 8 Examples of Crystal Structure Determination.- 9 X-ray Structure Determination with Powders.- 10 Proteins and Macromolecular X-ray Analysis.- 11 Computer-Aided Crystallography.- Appendices.- Al Stereoviews and Crystal Models.- Al.l Stereoviews.- A1.2 Model of a Tetragonal Crystal.- A2 Analytical Geometry of Direction Cosines.- A2.1 Direction Cosines of a Line.- A2.2 Angle between Two Lines.- A3 Schönflies’ Symmetry Notation.- A3.1 Alternating Axis of Symmetry.- A3.2 Notation.- A4 Rotation Matrices.- A5 Spherical Trigonometry.- A5.1 Spherical Triangle.- A5.2 Polar Triangle.- A6 Trigonometrical Formulae.- A7 Cartesian Coordinates.- A7.1 Cartesian to Crystallographic Transformation and its Inverse.- A9 Gamma Function.- A10 Crystallographic Software.- A10.1 Single Crystal Suites.- Platon/System S for UNIX.- SIR97 for MS-Windows and UNIX.- WinGX for Windows.- A 10.2 Single Crystal Structure Solution Programs CAOS (Crystal Analysis Operating System) for MS-Windows and UNIX.- CRYSTALS (11) for MS-Windows.- DIRDIF for PC/DOS and UNIX.- MULTAN Source Code.- PATSEE for PC/DOS and UNIX.- SHELXS86/SHELXS97/SHELXD.- SIR88/92/SIR97/SIR2001.- SnB (Shake “n” Bake).- A10.3 Single Crystal Twinning Software.- TWIN 3.0 for Windows.- TwinRotMac.- A10.4 Freestanding Structure Visualization Software.- ORTEP-III.- A 10.5 Powder Diffraction Data: Powder Indexing Suites (Dedicated andOther).- Checkcell for Windows.- CRYSFIRE for DOS.- DICVOL91.- FJZN.- IT013 source code and MS-Windows binary.- Kohl/TMO.- LOSH/LZON.- TAUP/Powder.- TREOR90 source code and MS-Windows binary.- A10.6 Powder Pattern Decomposition.- ALLHKL.- WPPF.- A 10.7 Structure Solution from Powder Diffraction Data.- ESPOIR source code, DOS, Windows, and Linux binaries.- EXPO source code, Windows, and UNIX binaries.- FOCUS.- FullProffor DOS, Windows, and Linux.- GSAS for Windows, Linux, and SGI IRIX.- Profil for VMS, DOS and UNIX.- Rietan GPL’D Fortran source code, Mac, UNIX, and Linux binaries.- SIRPOW.- XRS-82/DLS source code.- A10.8 Software for Macromolecular Crystallography.- Data Processing.- Fourier and Structure Factor Calculations.- Molecular Replacement.- Single and Multiple Isomorphous Replacement.- Software for Packing and Molecular Geometry.- Software for Graphics and Model Building.- Software for Molecular Graphics and Display.- SETOR.- Software for Refinement.- Software for Molecular Dynamics and Energy Minimization.- Data Bases.- Synchrotrons Web Page.- Tutorial Solutions.- Solutions 1.- Solutions 2.- Solutions 3.- Solutions 4.- Solutions 5.- Solutions 6.- Solutions?.- Solutions 8.- Solutions 9.- Solutions 10.

Review :
From the reviews of the fourth edition: "The fourth edition of the well-known and classic book: Structure determination by X-ray crystallography by Ladd and Palmer is a welcome introduction to the field. a ] the authors succeeded in linking the historical roots of crystallography to its most recent developments. This new edition of the a ~Ladd & Palmera (TM) will be helpful for those who really want to learn and practice crystallography and are not happy to simply press return on their keyboards." (Philippe Dumas, Journal of Molecular Recognition, Vol. 19 (2), 2006)


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Product Details
  • ISBN-13: 9780306474538
  • Publisher: Springer Science+Business Media
  • Publisher Imprint: Kluwer Academic/Plenum Publishers
  • Edition: Revised edition
  • Language: English
  • Returnable: N
  • ISBN-10: 0306474530
  • Publisher Date: 30 Sep 2003
  • Binding: SF
  • Height: 235 mm
  • No of Pages: 817
  • Width: 155 mm


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