Molecular mechanics modelling of structure/property relationships in liquid crystals
- 1 January 1989
- journal article
- blue phases-and-chiral-nematics
- Published by Taylor & Francis in Liquid Crystals
- Vol. 5 (3), 987-999
- https://doi.org/10.1080/02678298908026403
Abstract
Molecular mechanics calculations are reported of structure/property correlations in some liquid crystals. An atom-atom intermolecular potential is used to calculate minimum energy configurations of pairs of mesogenic molecules. Observed effects of dipole-dipole association, twist sense in chiral nematics and properties of flexible nematogens are confirmed by the calculations. It is concluded that molecular mechanics can be a useful technique for predicting liquid-crystalline properties of potentially mesogenic molecules.Keywords
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