Crystal Structure Determination

Author: Werner Massa
Publisher: Springer Science & Business Media
ISBN: 3662064316
Format: PDF, ePub, Mobi
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This textbook gives a concise introduction to modern crystal structure determination, emphasising both its theoretical background and the way it is actually carried out. The theoretical sections are supported by many illustrations, and lay emphasis on a good understanding rather than rigorous mathematics. The most important data collection techniques, and the methods of data reduction, structure solution and refinement are discussed from a practical point of view. Many tips and insights help readers to recognise and avoid possible errors and traps, and to judge the quality of results. The second edition has been considerably updated, especially the chapter on experimental methods, which is now mainly concerned with modern data collection using area-detectors.

Crystal Structure Determination

Author: H. Hauptman
Publisher: Springer
ISBN: 1468499548
Format: PDF, ePub, Mobi
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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.

Crystal Structure Determination

Author: William Clegg
Publisher:
ISBN: 9780198559016
Format: PDF, Mobi
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This concise text describes the basic principles of crystal structure determination by X-ray diffraction and the application of these principles in practice. The technique is presented step-by-step and illustrated with a wide range of case studies, including the use of the most up-to-date equipment. Crystal Structure Determination explains how X-ray crystallography fits in with modern chemistry, why it is important, and what it can do, with the aim of enabling the reader to understand and assess structural results in books and research journals. There is additional coverage of related topics such as neutron diffraction and the application of computer databases. Mathematical treatment is kept at a relatively low level and is complemented by extensive illustrations and worked examples. This clear introduction to the topic will be an essential text for chemistry undergraduates. Other related science undergraduates (biochemists, environmental scientists, etc.) and postgraduate chemists will also find this book useful.

Theories and Techniques of Crystal Structure Determination

Author: Uri Shmueli
Publisher: Oxford University Press
ISBN: 019921350X
Format: PDF, Docs
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The book is a detailed but concise exposition of crystal structure determination at a graduate level. Discussions range from geometrical principles of crystallography, through relevant experimental methods, to techniques of reliable and accurate determination of crystal structures.