View in EDS

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

Saved in:
Bibliographic Details
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
Description
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.
ISSN:01087673
DOI:10.1107/S0108767310047823