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Direct Phasing of Crystalline Materials from X-ray Powder Diffraction

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Book cover Computational Modeling of Objects Presented in Images. Fundamentals, Methods, and Applications (CompIMAGE 2016)

Part of the book series: Lecture Notes in Computer Science ((LNIP,volume 10149))

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Abstract

The direct-methods phasing program, Shake-and-Bake for single crystal structure determination, has been adapted and modified to solve microcrystal structures from X-ray powder diffraction data.

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Acknowledgments

This research was partially supported by the Knowledge Building Grant from ExxonMobil Research and Engineering.

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Authors and Affiliations

  1. Mathematics Department, SUNY Buffalo State, 1300 Elmwood Avenue, Buffalo, New York, 14222, USA

    Hongliang Xu

  2. Hauptman-Woodward Medical Research Institute, 700 Ellicott Street, Buffalo, New York, 14203, USA

    Hongliang Xu

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  1. Hongliang Xu
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Correspondence to Hongliang Xu .

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Editors and Affiliations

  1. State University of New York at Fredonia , Fredonia, New York, USA

    Reneta P. Barneva

  2. State University of New York , Buffalo, New York, USA

    Valentin E. Brimkov

  3. Universidade do Porto , Porto, Portugal

    João Manuel R.S. Tavares

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Xu, H. (2017). Direct Phasing of Crystalline Materials from X-ray Powder Diffraction. In: Barneva, R., Brimkov, V., Tavares, J. (eds) Computational Modeling of Objects Presented in Images. Fundamentals, Methods, and Applications. CompIMAGE 2016. Lecture Notes in Computer Science(), vol 10149. Springer, Cham. https://doi.org/10.1007/978-3-319-54609-4_12

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  • DOI: https://doi.org/10.1007/978-3-319-54609-4_12

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  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-319-54608-7

  • Online ISBN: 978-3-319-54609-4

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