Showing results 1 to 20 of 95
next >
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
 | 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 | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_rev_frq_ts_FOMe-gamma-BC-pA_1_2_1304206_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-CD-pA_1_2_1285638_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_rev_frq_ts_FOMe-ipso-AO-pA_1_2_1287546_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_rev_frq_ts_FOMe-ipso-FG-pA_1_2_1285861_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_rev_frq_ts_FOMe-ipso-GH-pA_1_2_1285786_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_rev_frq_ts_FOMe-ipso-OF-pA_1_2_1286216_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_ts_FOMe-gamma-AB-pA_1_2_1282751_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_ts_FOMe-gamma-AB-pA_1_2_1292706_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_ts_FOMe-gamma-BC-pA_1_2_1304130_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_ts_FOMe-gamma-CD-pA_1_2_1284597_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_ts_FOMe-ipso-AO-pA_1_2_1284599_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
| 29-May-2024 | /long-FOMe-X-F frq_ts_FOMe-ipso-FG-pA_1_2_1284603_out | Swart, Marcel | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | | | |
