Molecular modelling of supramolecular one dimensional polymers
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Updated: Sep 23, 2025

Controlling the Size, Shape and Stability of Supramolecular Polymers in Water
Published on: August 2, 2012
Divya B Korlepara1, S Balasubramanian2
1Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research Bangalore India.
Abstract:
Supramolecular polymers exemplify the need to employ several computational techniques to study processes and phenomena occuring at varied length and time scales. Electronic processes, conformational and configurational excitations of small aggregates of chromophoric molecules, solvent effects under realistic thermodynamic conditions and mesoscale morphologies are some of the challenges which demand hierarchical modelling approaches. This review focusses on one-dimensional supramolecular polymers, the mechanism of self-assembly of monomers in polar and non-polar solvents and properties they exhibit. Directions for future work are as well outlined.
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