Crystal Structure Refinement : A Crystallographer's Guide to SHELXL Hardback
by Peter (, Department of Chemistry, MIT) Muller, Regine (, University of Gottingen) Herbst-Irmer, Anthony (, Utrecht University) Spek, Thomas (, FIRC Institute of Molecular Oncology) Schneider, Michael (, University of California, Los Angeles) Sawaya
Part of the International Union of Crystallography Texts on Crystallography series
Hardback
Description
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.
Information
-
Out of stock
- Format:Hardback
- Pages:232 pages, 76 line drawings and 4 halftones
- Publisher:Oxford University Press
- Publication Date:13/07/2006
- Category:
- ISBN:9780198570769
Information
-
Out of stock
- Format:Hardback
- Pages:232 pages, 76 line drawings and 4 halftones
- Publisher:Oxford University Press
- Publication Date:13/07/2006
- Category:
- ISBN:9780198570769
