[资源] Structure Determination from Powder Diffraction Data

Structure Determination from Powder Diffraction Data (International Union of Crystallography Monographs on Crystallography) By W. I. F. David, K. Shankland, L.B. McCusker, Ch. Baerlocher Publisher: Oxford University Press, USA Number Of Pages: 360 Publication Date: 2006-10-05 ISBN-10 / ASIN: 0199205531 ISBN-13 / EAN: 9780199205530 Binding: Paperback 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. Summary: Your expert knowledge is needed Rating: 4 Powder diffraction has been around for decades, as a means of determining (or attempting to determine) crystal structure. However, David shows the many advances in recent years, driven principally by ever more powerful computers. He describes that going from powder data to a crystal structure is often an underdetermined problem, compared to dealing with single crystal samples. Thus many methods have arisen, that basically take intelligent steps or assumptions, to reduce down the manifold possibilities. He makes a cogent point that all is not yet automated. There is often still a need for you to make an inspired guess, based on your own expert knowledge, while applying the computational tools that have been developed. The book is well suited for crystallographers, as a good summary of the start of the art. http://www.namipan.com/d/Structure%20Determination%20from%20Powder%20Diffraction%20Data.pdf/b37b673510a546ab8d02efa0550e39a6119122965af85801

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