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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
20-Oct-2023 | frq_cycoctA_0_1_2220289_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | frq_DHAol_0_1_1246820_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | frq_CHol_0_1_1246666_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | frq_CH_0_1_2219909_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | frq_ts_ts2-ic-t-stilbene_2_3_1246936_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - |
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