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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Apr-2024 | /FeS0 fwd_frq_ts_6-5-Gp-2_0_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 22-Apr-2024 | /FeS2 frq_fwd_frq_ts_6-5-Gp-2-Fe_0_5 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 22-Apr-2024 | /FeS2 fwd_frq_ts_6-5-Fp-Fe_0_5 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 22-Apr-2024 | /FeS2 frq_fwd_frq_ts_6-6-Fe_2_0_5 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 22-Apr-2024 | /FeS2 fwd_frq_ts_6-6-Fe_0_5 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 22-Apr-2024 | /FeS2 rev-frq-ts-6-5-Gp-Fe_0_5 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 22-Apr-2024 | /FeS2 frq_fwd_frq_ts_6-5-Fh-Fe_2_0_5 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 22-Apr-2024 | /FeS2 frq_fwd-frq-ts-5-5-Fe_2_0_5 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
 | 22-Apr-2024 | /Neutral fwd_frq_ts_65Fh_0_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - | |||
 | 22-Apr-2024 | /Neutral ts_66_2 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point Quild | S12g-x PBEc | TZ2P | - |
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