Enhanced structure determination from powder diffraction data via algorithm optimisation and the use of conformational information

The performance of DASH has been evaluated against powder X-ray diffraction data collected from 101 molecular crystal structures, representing the most comprehensive testing of a "structure determination from powder diffraction data" (SDPD) program carried out to date. These 101 structures...

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Bibliographic Details
Main Author: Kabova, Elena A.
Published: University of Reading 2016
Subjects:
548
Online Access:https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.720047