On the rôle of the charge distribution in the crystal packing of charge-transfer salts
- 1 January 1996
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Chemical Communications
- No. 14,p. 1701-1702
- https://doi.org/10.1039/cc9960001701
Abstract
Molecular modelling techniques are applied to the structures of organic charge-transfer salts; accurate crystal structures are calculated provided atomic charges are allowed to vary during the course of the energy minimisation.Keywords
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