Showing results 100 to 119 of 219
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
 | 29-May-2024 | /long-FOMe-X-F ts_FOMe-ipso-AO-pA_1_2_1284215_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F ts_FOMe-ipso-FG-pA_1_2_1284217_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F ts_FOMe-ipso-GH-pA_1_2_1284219_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F ts_FOMe-ipso-OF-pA_1_2_1285646_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_fwd_frq_ts_FOMe-gamma-AB-pA_1_2_1284185_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_fwd_frq_ts_FOMe-gamma-BC-pA_1_2_1283706_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_fwd_frq_ts_FOMe-gamma-BC-pA_1_2_1304131_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_fwd_frq_ts_FOMe-gamma-BC-pA_1_2_1304161_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_fwd_frq_ts_FOMe-gamma-CD-pA_1_2_1282788_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_fwd_frq_ts_FOMe-gamma-mixOB-pA_1_2_1286296_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_fwd_frq_ts_FOMe-ipso-AO-pA_1_2_1284186_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_fwd_frq_ts_FOMe-ipso-FG-pA_1_2_1284188_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_fwd_frq_ts_FOMe-ipso-GH-pA_1_2_1283714_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_fwd_frq_ts_FOMe-ipso-OF-pA_1_2_1286217_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_rev_frq_ts_FOMe-gamma-AB-pA_1_2_1282995_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_rev_frq_ts_FOMe-gamma-BC-pA_1_2_1304160_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_rev_frq_ts_FOMe-gamma-CD-pA_1_2_1282786_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_rev_frq_ts_FOMe-gamma-mixOB-pA_1_2_1286208_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_rev_frq_ts_FOMe-ipso-AO-pA_1_2_1282993_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-OMe frq_rev_frq_ts_FOMe-ipso-AO-pA_1_2_1282996_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
