Issue 8, 1998

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.

Article information

Article type
Paper

Chem. Commun., 1998, 931-932

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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