Difference between revisions of "Energy Barrier Analysis of the Middle C-C Bond in P3HT via Different Molecular Modeling Methods"
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==Middle Dihedral Angle with Two Methyl Substituents== | ==Middle Dihedral Angle with Two Methyl Substituents== | ||
| − | [[File:Screenshot 2021-04-08 | + | [[File:Screenshot 2021-04-08 201041.png|400px]] |
[[File:Screenshot 2021-04-08 200137.png|400px]] | [[File:Screenshot 2021-04-08 200137.png|400px]] | ||
Revision as of 01:11, 9 April 2021
Middle Dihedral Angle with No Substituents
The molecule above was used for analysis. For the first molecule, the hydrocarbon substituents were removed.
This calculation took 40.6 seconds to complete.
Middle Dihedral Angle with One Methyl Substituent
Symmetry: CS
Middle Dihedral Angle with Two Methyl Substituents
