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Issue 8, 1998
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Routine determination of molecular crystal structures from powder diffraction data

Abstract

The state of the art in determining molecular crystal structures from powder diffraction data using a global optimisation method is illustrated with a fast, automated simulated annealing approach to solving the previously unknown crystal structures of capsaicin, thiothixene and promazine hydrochloride.

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Article type: Paper
DOI: 10.1039/A800855H
Citation: Chem. Commun., 1998, 931-932
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    Routine determination of molecular crystal structures from powder diffraction data

    W. I. F. David, K. Shankland, K. Shankland and N. Shankland, Chem. Commun., 1998, 931
    DOI: 10.1039/A800855H

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