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Author : Peter Muller
Publisher : Oxford University Press, USA
Page : 232 pages
File Size : 42,84 MB
Release : 2006-07-13
Category : Science
ISBN : 0198570767
Accompanying CD-ROM contains all the files necessary to reproduce the refinements covered in the text.
Author : Peter Muller
Publisher : OUP Oxford
Page : 232 pages
File Size : 21,48 MB
Release : 2006-07-13
Category : Science
ISBN : 019152476X
Crystal Structure Refinement is a mixture of textbook and tutorial. As A Crystallographers Guide to SHELXL it covers advanced aspects of practical crystal structure refinement, which have not been much addressed by textbooks so far. After an introduction to SHELXL in the first chapter, a brief survey of crystal structure refinement is provided. Chapters three and higher address the various aspects of structure refinement, from the treatment of hydrogen atoms to the assignment of atom types, to disorder, to non-crystallographic symmetry and twinning. One chapter is dedicated to the refinement of macromolecular structures and two short chapters deal with structure validation (one for small molecule structures and one for macromolecules). In each of the chapters the book gives refinement examples, based on the program SHELXL, describing every problem in detail. It comes with a CD-ROM with all files necessary to reproduce the refinements.
Author : Herbert L. Clark
Publisher :
Page : 56 pages
File Size : 48,71 MB
Release : 1969
Category : Crystals
ISBN :
Author : Robert E. Dinnebier
Publisher : Walter de Gruyter GmbH & Co KG
Page : 347 pages
File Size : 49,48 MB
Release : 2018-12-17
Category : Science
ISBN : 3110461382
Almost 50 years have passed since the famous papers of Hugo Rietveld from the late sixties where he describes a method for the refinement of crystal structures from neutron powder diffraction data. Soon after, the potential of the method for laboratory X-ray powder diffraction was discovered. Although the method is now widely accepted, there are still many pitfalls in the theoretical understanding and in practical daily use. This book closes the gap with a theoretical introduction for each chapter followed by a practical approach.The flexible macro type language of the Topas Rietveld software can be considered as the defacto standard.
Author : Ulrich Müller
Publisher : Academic
Page : 349 pages
File Size : 44,84 MB
Release : 2013-04-04
Category : Science
ISBN : 0199669953
The book presents the basic information needed to understand and to organize the huge amount of known structures of crystalline solids. Its basis is crystallographic group theory (space group theory), with special emphasis on the relations between the symmetry properties of crystals.
Author : Navraj Singh Pannu
Publisher :
Page : 98 pages
File Size : 43,63 MB
Release : 1998
Category :
ISBN :
Author : Georg Will
Publisher : Springer Science & Business Media
Page : 232 pages
File Size : 41,29 MB
Release : 2006-01-26
Category : Science
ISBN : 3540279865
Crystal structure analysis from powder diffraction data has attracted considerable and ever growing interest in the last decades. X-ray powder diffraction is best known for phase analysis (Hanawalt files) dating back to the 30s. In the late 60s the inherent potential of powder diffraction for crystallographic problems was realized and scientists developed methods for using powder diffraction data at first only for the refinement of crystal structures. With the development of ever growing computer power profile fitting and pattern decomposition allowed to extract individual intensities from overlapping diffraction peaks opening the way to many other applications, especially to ab initio structure determination. Powder diffraction today is used in X-ray and neutron diffraction, where it is a powerful method in neutron diffraction for the determination of magnetic structures. In the last decade the interest has dramatically improved. There is hardly any field of crystallography where the Rietveld, or full pattern method has not been tried with quantitative phase analysis the most important recent application.
Author : Alexander J Blake
Publisher : Oxford University Press
Page : 406 pages
File Size : 41,62 MB
Release : 2009-06-18
Category : Science
ISBN : 019921946X
By choosing an approach that avoids undue emphasis on the mathematics involved, this book gives practical advice on topics such as growing crystals, solving and refining structures, and understanding and using the results.
Author :
Publisher :
Page : pages
File Size : 45,22 MB
Release : 1998
Category :
ISBN :
Author : Werner Massa
Publisher : Springer Science & Business Media
Page : 210 pages
File Size : 42,59 MB
Release : 2013-03-09
Category : Science
ISBN : 3662042487
A concise introduction to modern crystal structure determination, emphasizing both the crystallographic background and the successive practical steps. In the theoretical sections, more importance is attached to a good understanding, than to a rigorous mathematical treatment. The most important measuring techniques, including the use of modern area detectors, and the methods of data reduction, structure solution and refinement are discussed from a practical point of view. Special emphasis is put on the ability to recognize and avoid possible errors and traps, and to judge the quality of results.