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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 | /N3PyQbis opt_feiii-o_1_6 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
| 23-Nov-2024 | /N3PyQbis opt_feiii-oh_2_2 | 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 | - | |||
| 23-Nov-2024 | /N3PyIm frq_feiv-o_2_5 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
| 23-Nov-2024 | /N2Py2B frq_feiv-o_2_5 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
| 23-Nov-2024 | /N3PyQbis opt_feiii-o_1_4 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
| 23-Nov-2024 | /N3PyQbis frq_feiv-oh_3_5 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
| 23-Nov-2024 | /N2Py2Q opt_feiii-oh_2_6 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - |
Results 1-10 of 242 (Search time: 0.001 seconds).