Ab Initio Tutorial

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Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition

Author: Vitalij Pecharsky
language: en
Publisher: Springer Science & Business Media
Release Date: 2008-11-26
A little over ?ve years have passed since the ?rst edition of this book appeared in print. Seems like an instant but also eternity, especially considering numerous developments in the hardware and software that have made it from the laboratory test beds into the real world of powder diffraction. This prompted a revision, which had to be beyond cosmetic limits. The book was, and remains focused on standard laboratory powder diffractometry. It is still meant to be used as a text for teaching students about the capabilities and limitations of the powder diffraction method. We also hope that it goes beyond a simple text, and therefore, is useful as a reference to practitioners of the technique. The original book had seven long chapters that may have made its use as a text - convenient. So the second edition is broken down into 25 shorter chapters. The ?rst ?fteen are concerned with the fundamentals of powder diffraction, which makes it much more logical, considering a typical 16-week long semester. The last ten ch- ters are concerned with practical examples of structure solution and re?nement, which were preserved from the ?rst edition and expanded by another example – R solving the crystal structure of Tylenol .
HFI/NQI 2004

Author: K. Maier
language: en
Publisher: Springer Science & Business Media
Release Date: 2008-01-03
This volume of proceedings includes new and original scientific results along with recent developments in instrumentation and methods, in invited and contributed papers. Researchers and graduate students interested in hyperfine interaction detected by nuclear radiation as well as nuclear quadrupole interactions detected by resonance methods in the areas of materials, biological and medical science will find this volume indispensable.
Fundamentals of Powder Diffraction and Structural Characterization of Materials

Author: Vitalij Pecharsky
language: en
Publisher: Springer Science & Business Media
Release Date: 2005-03-03
Requires no prior knowledge of the subject, but is comprehensive and detailed making it useful for both the novice and experienced user of the powder diffraction method. Useful for any scientific or engineering background, where precise structural information is required. Comprehensively describes the state-of-the-art in structure determination from powder diffraction data both theoretically and practically using multiple examples of varying complexity. Pays particular attention to the utilization of Internet resources, especially the well-tested and freely available computer codes designed for processing of powder diffraction data.