Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Apr-2025 | frq_m1FRu2_0_1 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point | S12g-x PBEc | TZ2P | - | |||
| 23-Apr-2025 | sp_Ru1mFlt05_0_2 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 23-Apr-2025 | opt_pMeRuCl2_0_1 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
| 23-Apr-2025 | opt_Ru1m1F_0_2 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
| 23-Apr-2025 | opt_Ru1pMe_0_4 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
| 23-Apr-2025 | opt_Ru1pMe_0_2 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
| 23-Apr-2025 | opt_pMeRu2_0_1 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point Quild | S12g-x PBEc | TZ2P | - |
Results 81-87 of 87 (Search time: 0.001 seconds).