Showing results 263 to 282 of 612
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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_ts2-ic-dha_2_5_1237883_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 | - | | | |
 | 20-Oct-2023 | frq_ts_ts2-ic-t-stilbene_2_5_2220162_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | | | |
 | 20-Oct-2023 | frq_ts_ts2-sc-c-stilbene_2_3_1246938_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | | | |
 | 20-Oct-2023 | frq_ts_ts2-sc-c-stilbene_2_3_1247290_out | Swart, Marcel | ADF; 2019; 304 | Single point | | - | - | | | |
 | 20-Oct-2023 | frq_ts_ts2-sc-c-stilbene_2_5_1238614_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | | | |
 | 20-Oct-2023 | frq_ts_ts2-sc-CH_2_3_1245065_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_ts2-sc-dha_2_3_1245700_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | | | |
 | 20-Oct-2023 | frq_ts_ts2-sc-dha_2_5_1237887_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | | | |
 | 20-Oct-2023 | frq_ts_ts2-sc-t-stilbene_2_3_1246937_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | | | |
 | 20-Oct-2023 | frq_ts_ts2-sc-t-stilbene_2_5_1238799_out | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | | | |
 | 29-May-2024 | /long-FOMe-X-F frq_fwd_frq_ts_FOMe-gamma-AB-pA_1_2_1283958_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_fwd_frq_ts_FOMe-gamma-BC-pA_1_2_1285640_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_fwd_frq_ts_FOMe-gamma-CD-pA_1_2_1285642_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_fwd_frq_ts_FOMe-ipso-AO-pA_1_2_1285785_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_fwd_frq_ts_FOMe-ipso-FG-pA_1_2_1285856_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_fwd_frq_ts_FOMe-ipso-GH-pA_1_2_1286219_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_fwd_frq_ts_FOMe-ipso-OF-pA_1_2_1286221_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_rev_frq_ts_FOMe-gamma-AB-pA_1_2_1284183_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
