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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Jul-2017 | Freq+Energy_O2(triplet)-reactant_S12g | Angelone, Davide | ADF; 2016 | Single point Minimum Quild | DFT | TZ2P | - | |||
 | 22-Jul-2017 | /L-N2Me2/STEP_6 Freq_step6_M04_S12g | Angelone, Davide | ADF; 2014 | Single point Minimum Quild | DFT | TZ2P | - | |||
 | 22-Jul-2017 | /L-N2H2/STEP_6 Freq_step6_H04_S12g | Angelone, Davide | ADF; 2014 | Single point Minimum Quild | DFT | TZ2P | - |
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