Structure Determination from Powder Diffraction Data -

Structure Determination from Powder Diffraction Data

Buch | Softcover
358 Seiten
2006
Oxford University Press (Verlag)
978-0-19-920553-0 (ISBN)
114,70 inkl. MwSt
Our understanding of the properties of materials, from drugs and proteins to catalysts and ceramics, is almost always based on structural information. This book describes the developments in powder diffraction which make it possible for scientists to obtain such information, and guides both novices and practitioners through all the possibilities.
The art of solving a structure from powder diffraction data has developed rapidly over the last ten years to the point where numerous crystal structures, both organic and inorganic, have been solved directly from powder data. However, it is still an art and, in contrast to its single crystal equivalent, is far from routine. The art lies not only in the correct application of a specific experimental technique or computer program, but also in the selection of the optimal path for the problem at hand. Written and edited by experts active in the field, and covering both the fundamental and applied aspects of structure solution from powder diffraction data, this book guides both novices and experienced practitioners alike through the maze of possibilities.

Preface ; 1. Introduction ; 2. Structure determination from powder diffraction data: an overview ; 3. Laboratory x-ray powder diffraction ; 4. Synchroton radiation powder diffraction ; 5. Neutron powder diffraction ; 6. Sample preparation, instrument selection and data collection ; 7. Autoindexing ; 8. Extracting integrated intensities from powder diffraction patterns ; 9. Experimental methods for estimating the relative intensities of overlapping reflections ; 10. Direct methods in powder diffraction - basic concepts ; 11. Direct methods in powder diffraction - applications ; 12. Patterson methods in powder diffraction: maximum entropy and symmetry minimum function techniques ; 13. Solution of patterson-type syntheses with the direct methods sum function ; 14. A maximum entropy approach to structure solution ; 15. Global optimisation strategies ; 16. Solution of flexible molecular structures by simulated annealing ; 17. Chemical information and intuition in solving crystal structures ; Index

Erscheint lt. Verlag 17.8.2006
Reihe/Serie International Union of Crystallography Monographs on Crystallography ; 13
Zusatzinfo 96 line drawings and half tones
Verlagsort Oxford
Sprache englisch
Maße 157 x 235 mm
Gewicht 540 g
Themenwelt Medizin / Pharmazie Pharmazie
Naturwissenschaften Chemie Physikalische Chemie
Naturwissenschaften Geowissenschaften Mineralogie / Paläontologie
Naturwissenschaften Physik / Astronomie Festkörperphysik
Technik Maschinenbau
ISBN-10 0-19-920553-1 / 0199205531
ISBN-13 978-0-19-920553-0 / 9780199205530
Zustand Neuware
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