issue contents
August 2016 issue
Special issue on Crystal structure prediction
Guest Editors: Graeme M. Day and Carl Henrik Görbitz

Cover illustration: Schematic of the crystal structure prediction of the multicomponent system of 3,5-dinitrobenzoic acid and Tröger's base, which was system (XXV) in the sixth blind test of crystal structure prediction methods. (XXV) was successfully predicted as a co-crystal in five submissions, starting only from the two-dimensional diagrams of the two components. While predicted as a co-crystal, low-temperature diffraction data suggest the proton is disordered between the two components [see Reilly et al. (2016). Acta Cryst. B72, 439-459].
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Exploring polymorphism of benzene and naphthalene with free energy based enhanced molecular dynamics


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