Structure Determination from Powder Diffraction Data
Published on 3. August 2006
Book
Paperback/Softback
358 pages
978-0-19-920553-0 (ISBN)
Description
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.
Reviews / Votes
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 Applied Crystallography *More details
Series
Language
English
Place of publication
Oxford
United Kingdom
Target group
Professional and scholarly
Illustrations
96 line drawings and half tones
Dimensions
Height: 234 mm
Width: 156 mm
Thickness: 20 mm
Weight
544 gr
ISBN-13
978-0-19-920553-0 (9780199205530)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Classification
Other editions
Additional editions
W.I.F. David | K. Shankland | L.B. McCusker
Structure Determination from Powder Diffraction Data
Book
04/2002
Oxford University Press
€302.00
Shipment within 15-20 days
Persons
Content
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