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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Apr-2023 | frq_ts1_III-IVa_0_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 18-Apr-2023 | opt_nIVb_BzCl2_0_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 18-Apr-2023 | frq_opt_nIVb_tBu_0_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 18-Apr-2023 | frq_opt_nIIIa_0_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 18-Apr-2023 | frq_opt_nIIb_0_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 18-Apr-2023 | frq_opt_nIb_tBu_0_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | - | - | ||||
 | 18-Apr-2023 | opt_nIb_BzCl2_0_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point Quild | 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 | frq_sp_pF_0_1 | Mollfulleda, Rosa | ADF; 2019; 307 | Single point | S12g-x PBEc | TZ2P | - |
Results 1-10 of 55 (Search time: 0.001 seconds).