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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_ts_ic-thio_2_5_2220157_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | frq_ts_sc-2sty_2_5_2219713_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | frq_ts_ic-2sty_2_5_2219643_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | frq_ts-sc-CH_2_5_2219273_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | frq_c-stilbeneO_0_1_2219911_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | frq_ts_ts2-sc-CH_2_5_1237888_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | frq_ts_sc-thio_2_3_2219974_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | frq_sc_2_3_2219620_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | ||||
20-Oct-2023 | frq_c-stilbene_0_1_2219910_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 | - |
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