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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Sep-2021 | dhi_dimers | Blancafort, Lluís | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RCAM-B3LYP; TD-FC | 6-311G(D,P) | -1027.1509686; Eh | |||
 | 22-Apr-2024 | /Dianionic frq_66_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_Dianionic_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_fwd_frq_ts_5-5-2_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_fwd_frq_ts_5-5_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_fwd_frq_ts_6-5-Fh_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_fwd_frq_ts_6-5-Fp_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_fwd_frq_ts_6-5-Gp_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_fwd_frq_ts_6_6_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_fwd_ts_6_5-Gh_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_rev_frq_ts-6-5-Fh_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_rev_frq_ts_-5-5-_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_rev_frq_ts_5-5-2_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_rev_frq_ts_6-5-Fp_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_rev_frq_ts_6-5-Gh_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_rev_frq_ts_6-5-Gp_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_rev_frq_ts_6-6_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - | |||
| 22-Apr-2024 | /Dianionic frq_ts_5-5-2_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | 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 | - | |||
| 22-Apr-2024 | /Dianionic frq_ts_6-5-Fp_-2_1 | Santha Bhaskaran, Athul | ADF; 2019; 304 | Single point | S12g-x PBEc | TZ2P | - |