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Patterson-function direct methods for structure determination of organic compounds from powder diffraction data. XVI.

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Title: Patterson-function direct methods for structure determination of organic compounds from powder diffraction data. XVI.
Authors: Rius, Jordi1 jordi.rius@icmab.es
Source: Acta Crystallographica: Section A (Wiley-Blackwell). Jan2011, Vol. 67 Issue 1, p63-67. 5p.
Subjects: Patterson function, Organic compounds, Diffraction patterns, Mathematical optimization, Fourier transforms, Algorithms
Abstract: The article discusses the study on the use of Patterson-function direct methods (DM) in determining the structure of organic compounds from powder diffraction data. It says that the method is based on the structure factors (Φ) maximization of the sum function of Sp. It cites the optimization of Sp sum with Patterson-function tangent formula (TF) by the Sliding-Fast Fourier Transform (S-FFT) algorithm. It shows that Patterson-function DM can deal with powder data.
Database: Engineering Source
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Header DbId: egs
DbLabel: Engineering Source
An: 57802712
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
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  Data: Patterson-function direct methods for structure determination of organic compounds from powder diffraction data. XVI.
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  Data: <searchLink fieldCode="JN" term="%22Acta+Crystallographica%3A+Section+A+%28Wiley-Blackwell%29%22">Acta Crystallographica: Section A (Wiley-Blackwell)</searchLink>. Jan2011, Vol. 67 Issue 1, p63-67. 5p.
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  Data: <searchLink fieldCode="DE" term="%22Patterson+function%22">Patterson function</searchLink><br /><searchLink fieldCode="DE" term="%22Organic+compounds%22">Organic compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Diffraction+patterns%22">Diffraction patterns</searchLink><br /><searchLink fieldCode="DE" term="%22Mathematical+optimization%22">Mathematical optimization</searchLink><br /><searchLink fieldCode="DE" term="%22Fourier+transforms%22">Fourier transforms</searchLink><br /><searchLink fieldCode="DE" term="%22Algorithms%22">Algorithms</searchLink>
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  Label: Abstract
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  Data: The article discusses the study on the use of Patterson-function direct methods (DM) in determining the structure of organic compounds from powder diffraction data. It says that the method is based on the structure factors (Φ) maximization of the sum function of Sp. It cites the optimization of Sp sum with Patterson-function tangent formula (TF) by the Sliding-Fast Fourier Transform (S-FFT) algorithm. It shows that Patterson-function DM can deal with powder data.
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RecordInfo BibRecord:
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        Value: 10.1107/S0108767310047823
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      – Code: eng
        Text: English
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        PageCount: 5
        StartPage: 63
    Subjects:
      – SubjectFull: Patterson function
        Type: general
      – SubjectFull: Organic compounds
        Type: general
      – SubjectFull: Diffraction patterns
        Type: general
      – SubjectFull: Mathematical optimization
        Type: general
      – SubjectFull: Fourier transforms
        Type: general
      – SubjectFull: Algorithms
        Type: general
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      – TitleFull: Patterson-function direct methods for structure determination of organic compounds from powder diffraction data. XVI.
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            – D: 01
              M: 01
              Text: Jan2011
              Type: published
              Y: 2011
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            – TitleFull: Acta Crystallographica: Section A (Wiley-Blackwell)
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