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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Jun-2024 | rev_frq_ts_DUScO2_2_1_1249645_out | Swart, Marcel | ADF; 2017 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
| 20-Jun-2024 | opt_protbk_3_1_10802864_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
| 23-Nov-2024 | /N3PyB opt_feiii-o_1_4 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
| 23-Nov-2024 | /N4Py opt_feiv-o_2_1 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
| 23-Nov-2024 | /N3PyQbis opt_feiv-o_2_5 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
| 23-Nov-2024 | /N3PyIm opt_feiii-o_1_6 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
| 23-Nov-2024 | /N2Py2Qbis opt_feiii-o_1_6 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
| 23-Nov-2024 | /N3PyB opt_feiii-o_1_2 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
| 23-Nov-2024 | /N3PyIm opt_feiv-o_2_1 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
| 23-Nov-2024 | /N2Py2Q opt_feiv-o_2_5 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - |
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- 110 4. 2. 1
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