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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_5 Freq_step5i_H02_S12g | Angelone, Davide | ADF; 2014 | Single point TS Quild | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2H2/STEP_4 Freq_step4_H02_S12g | Angelone, Davide | ADF; 2016 | Single point TS Quild | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2H2/STEP_4_TS45 Freq_TS45e_H04_S12g | Angelone, Davide | ADF; 2014 | Single point TS Quild | DFT | TZ2P | - | ||||
22-Jul-2017 | /L-N2H2/STEP_4_TS45 Freq_TS45e_H02_S12g | Angelone, Davide | ADF; 2014 | Single point TS Quild | DFT | TZ2P | - |
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