Browsing by Subject High-valent transition-metal complexes
Showing results 1 to 2 of 2
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Jun-2024 | opt_protbk_3_1_10802864_out | Swart, Marcel | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
| 20-Jun-2024 | rev_frq_ts_DUScO2_2_1_1249645_out | Swart, Marcel | ADF; 2017 | Single point Quild | S12g-x PBEc | TZ2P | - |