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Structure determination from powder diffraction data

Author: W I F David; et al
Publisher: Oxford : Oxford University Press, 2006.
Series: International Union of Crystallography monographs on, no. 13.
Edition/Format:   Print book : EnglishView all editions and formats

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  Read more...


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Document Type: Book
All Authors / Contributors: W I F David; et al
ISBN: 0199205531 9780199205530 0198500912 9780198500919
OCLC Number: 475491530
Notes: Originally published: 2002.
Description: 337 s. : illustrations ; 24 cm.
Contents: Table of contents: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; / Preface; 1. Introduction; 2. Structure determination from powder diffraction data. 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.
Series Title: International Union of Crystallography monographs on, no. 13.
Responsibility: edited by W.I.F. David ... [et al.].


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The book is an essential and complete text for newcomers to structure solution from powder data, and those who are familiar with the technique should find much of interest in its pages. * Journal of Read more...

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