Structure Determination from Powder Diffraction Data

Name: Structure Determination from Powder Diffraction Data
Availability: InStock
ISBN: 9780199205530

ISBN-10: 0199205531

ISBN-13: 9780199205530

Edition: 2006

Authors: W. I. F. David, K. Shankland, L. B. McCusker, Ch. Baerlocher

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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…

Book details

List price: $115.00
Copyright year: 2006
Publisher: Oxford University Press, Incorporated
Publication date: 10/5/2006
Binding: Paperback
Pages: 358
Size: 6.18" wide x 9.25" long x 0.75" tall
Weight: 1.188
Language: English



List of Contributors



Introduction




Structure determination from powder diffraction data: an overview




Laboratory X-ray powder diffraction




Synchrotron radiation powder diffraction




Neutron powder diffraction




Sample preparation, instrument selection and data collection




Autoindexing




Extracting integrated intensities from powder diffraction patterns




Experimental methods for estimating the relative intensities of overlapping reflections




Direct methods in powder diffraction - basic concepts




Direct methods in powder diffraction - applications




Patterson methods in powder diffraction: maximum entropy and symmetry minimum function techniques




Solution of Patterson-type syntheses with the Direct methods sum function




A maximum entropy approach to structure solution




Global optimisation strategies




Solution of flexible molecular structures by simulated annealing




Chemical information and intuition in solving crystal structures



Index of symbols


Index of abbreviations


Computer programs


Index