Browsing by Subject Bidentate ligands
Showing results 1 to 11 of 11
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-Nov-2023 | frq_pFRu2_0_1 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 7-Nov-2023 | frq_pFRuCl2_0_1 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 7-Nov-2023 | frq_Ru1pF_0_2 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 7-Nov-2023 | frq_Ru1pF_0_4 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 7-Nov-2023 | frq_sp_pF_0_1 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 7-Nov-2023 | frq_sp_Ru1_0_2 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 7-Nov-2023 | frq_sp_Ru1_0_4 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 7-Nov-2023 | opt_pFRu2_0_1 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 7-Nov-2023 | opt_pFRuCl2_0_1 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 7-Nov-2023 | opt_Ru1pF_0_2 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 7-Nov-2023 | opt_Ru1pF_0_4 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point Quild | S12g-x PBEc | TZ2P | - |