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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-t-stilbene_2_3_2220198_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | frq_ts_ic-c-stilbene_2_5_2220196_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | frq_ts_ic-sty_2_3_2219784_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | ts_ic-dha_2_5_2219181_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | ts_sc-dha_2_5_2219186_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | opt_DHAol_0_1_1246738_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | frq_ic_2_1_2219614_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | opt_CHol_0_1_1246648_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | opt_thio_0_1_2219704_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 20-Oct-2023 | ts_ic-t-stilbene_2_3_2219609_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - |
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Date issued
- 12 2023