Rotational Energy Barrier Analysis of the Middle C-C Bond in P3HT Like Compounds

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Middle Dihedral Angle with No Substituents

Symmetry: C2h

Screenshot 2021-04-08 161629.png Screenshot 2021-04-08 162942.png

The molecule above was used for analysis. For the first molecule, the hydrocarbon substituents were removed.

This calculation took 40.6 seconds to complete.

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