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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_ts_I-IIc2_tBu_0_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 18-Apr-2023 | frq_opt_nIVb_BzCl2_0_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 8-May-2024 | frq_rev_frq_ts_pOHbS2_-1_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 8-May-2024 | frq_rev_frq_ts_pOHbS_-1_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 8-May-2024 | frq_rcOHbS_0_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 8-May-2024 | frq_fwd_frq_ts_pOHbS2_-1_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 8-May-2024 | frq_ts_pOHbS2_-1_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 8-May-2024 | frq_ts_pOHbS_-1_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 8-May-2024 | frq_fwd_frq_ts_pOHbS_-1_1 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 23-Apr-2025 | sp_RupMe4-Cl_lt5_0_4 | Mollfulleda, Rosa | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - |
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