Difference between revisions of "Rotational Energy Barrier Analysis of the Middle C-C Bond in P3HT Like Compounds"
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(Created page with "==Middle Dihedral Angle with No Substituents== Symmetry: C<sub>2h</sub> 400px 400px Th...") |
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This calculation took 40.6 seconds to complete. | This calculation took 40.6 seconds to complete. | ||
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| + | ==Middle Dihedral Angle with One Methyl Substituent== | ||
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| + | Symmetry: C<sub>1</sub> | ||
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| + | [[File:Screenshot 2021-04-08 200747.png|400px]] [[File:Screenshot 2021-04-08 201500.png|400px]] | ||
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| + | ==Middle Dihedral Angle with Two Methyl Substituents== | ||
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| + | Symmetry: C<sub>2h</sub> | ||
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| + | [[File:Screenshot 2021-04-08 201041.png|400px]] [[File:Screenshot 2021-04-08 200137.png|400px]] | ||
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| + | ===Replacement of Methyl Substituents with Functional Groups=== | ||
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| + | [[File:Screenshot 2021-04-08 202258.png|400px]] [[File:Screenshot 2021-04-08 202735.png|400px]] | ||
Revision as of 14:24, 9 April 2021
Middle Dihedral Angle with No Substituents
Symmetry: C2h
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: C1
Middle Dihedral Angle with Two Methyl Substituents
Symmetry: C2h
Replacement of Methyl Substituents with Functional Groups
