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Molecular modeling of dynamic gearing and gear-slippage in bis(9-triptycyl)methane
gauche-gauche | syn-anti | anti-anti |
|
Conformation | Symmetry | Energy | Gradient norm | # imaginary frequencies |
Gauche-Gauche | C 2 | 44.0736 kcal th | 0 kcal th | 0 |
Syn-Anti | C s | 44.7293 kcal th | 0 kcal th | 1 |
Anti-Anti-Cs | C s | 77.8161 kcal th | 0 kcal th | 1 |
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