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Calculation of Conformational Parameters

All the values of Kuhn segment were calculated with Monte Carlo method and the geometry of the repeating unit was assigned by using quantum-chemical method AMI [20], [Pg.35]

We also used another parameter of conformational rigidity named characteristic ratio which shows the number of repeating units in Kuhn segment, as shown by Eq. (2). [Pg.35]

For some of the studied polymers, we also calculated the Kuhn segment values taking into consideration the hindrance of rotation, according to the method previously described [20, 21], Most of these polymers did not have any hindrance of rotation, or their hindrance was too low, and it was neglected. Previously, it was shown that the values of conformational parameters calculated under the assumption of free rotation in the absence of voluminous substituents are practically equal to the values found experimentally from hydrodynamic data [22], [Pg.35]


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