Nihon Kessho Gakkaishi
Online ISSN : 1884-5576
Print ISSN : 0369-4585
ISSN-L : 0369-4585
Introduction to Structure Determination from Powder Diffraction Data
Structure Determination from Powder Diffraction by Direct-Space Strategy
Eiji NISHIBORI
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JOURNAL FREE ACCESS

2011 Volume 53 Issue 4 Pages 240-248

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Abstract
The crystal structure determination from powder diffraction (SDPD) has attracted wide interests for its huge potential to accelerate a design, synthesis, and characterization of the materials in the fields of nano- and bio- technologies. One of the most important progresses of the SDPD is the development of the direct-space strategy. In this report, SDPD by direct-space strategy has been described. Fundamental aspects of the strategy have been demonstrated with some examples. Global optimization methods within direct-space strategy such as Grid Search, Simulated Annealing, and Genetic Algorithm have been described including detailed methodologies.
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© 2011 The Crystallographic Society of Japan
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