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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-N2H2/STEP_3_TS34 SP_TS34_H04_S12g | Angelone, Davide | ADF; 2016 | Single point | DFT | TZ2P | - |
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- 171 Caechol
- 171 Cathecholase
- 171 DFT