Acta Cryst. (2014). C70, 132-136 [ doi:10.1107/S2053229613026946 ]
Synopsis: Recent experimental evidence has shown that the nucleation of 1,3,5-tris(4-bromophenyl)benzene (3BrY) follows a two-step mechanism. In this work, the formation of clusters of 3BrY from homogeneous water and methanol solutions is simulated using metadynamics.
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