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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Jul-2017 | /L-N2Me2/STEP_3 Freq_step3_M04_S12g | Angelone, Davide | ADF; 2013; 01 | Single point TS | DFT | TZ2P | - |
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- 171 Caechol
- 171 Cathecholase
- 171 DFT
- 171 oxidation