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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Jan-2020 | c2DD_opt | Swart, Marcel | ADF; 2017 | Geometry optimization Quild | DFT | TZ2P | - | |||
 | 17-Jan-2020 | c2DU_opt | Swart, Marcel | ADF; 2017 | Geometry optimization Quild | DFT | TZ2P | - | |||
 | 20-Oct-2023 | ts_ic-CH220_2_5_2220187_out | Swart, Marcel | ADF; 2019; 304 | Geometry optimization Quild | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im opt_feiii-oh_2_4 | Swart, Marcel | ADF; 2019; 304 | Geometry optimization Quild | 4. 2. 1 | TZ2P | - | |||
| 23-Nov-2024 | /N2Py2Qbis opt_feiii-oh_2_2 | Swart, Marcel | ADF; 2019; 304 | Geometry optimization Quild | 4. 2. 1 | TZ2P | - | |||
| 23-Nov-2024 | /N3PyQbis opt_feiii-oh_2_4 | Swart, Marcel | ADF; 2019; 304 | Geometry optimization Quild | 4. 2. 1 | TZ2P | - |
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