Predictive modeling of self assembly of chromonics materials
2006
This study identifies mechanisms of self-assembly of a chromonic molecule with interesting self-assembly properties. Results from molecular dynamics (MD) studies used to understand the moieties of the molecule that affect the structure are consistent with experimental observations of these self-assembled structures. Coulombic forces, with significant contributions from π–π interactions drives the self-assembly of this class of materials; hydrogen bond energies are also significant.
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