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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Apr-2024 | /Neutral fwd_frq_ts_66_1_0_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 22-Apr-2024 | /Dianionic frq_ts_6-5-Fp_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 22-Apr-2024 | /FeS2 ts_5-5-Fe_2_0_5 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 22-Apr-2024 | /Neutral frq__4+3__0_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Pz opt_feiii-oh_2_6 | Swart, Marcel | ADF; 2019; 304 | Single point Quild | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N3PyB frq_feiii-oh_2_2 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N3PyQ frq_feiv-o_2_5 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 23-Nov-2024 | /N2Py2Im frq_feiv-o_2_3 | Swart, Marcel | ADF; 2019; 304 | Single point | 4. 2. 1 | TZ2P | - | |||
 | 22-Apr-2024 | /Dianionic fwd_frq_ts_6-5-Fp_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 22-Apr-2024 | /Dianionic frq_ts_6-5-Fh_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - |
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- 12 2023