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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Oct-2017 | /Path_b 1b_ | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | DZP; TZP | - | |||
 | 26-Oct-2017 | /Path_b 2b_ | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | DZP; TZP | -29.15992143; Eh | |||
 | 26-Oct-2017 | /Path_b 2b | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | DZP; TZP | -29.17158947; Eh | |||
 | 26-Oct-2017 | /Path_a 2a | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | DZP; TZP | -29.27047438; Eh | |||
 | 26-Oct-2017 | /Path_a 2a_ | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | DZP; TZP | -29.24749316; Eh | |||
 | 26-Oct-2017 | /Path_b 1b | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | DZP; TZP | -29.26802624; Eh | |||
 | 26-Oct-2017 | /Path_a 1a | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | DZP; TZP | -29.17197170; Eh | |||
 | 26-Oct-2017 | /Path_a 1a_ | Bandeira, Nuno | ADF; 2013; 01 | Geometry optimization | DFT | DZP; TZP | -29.15213130; Eh | |||
 | 12-Dec-2016 | /YbLa YbLa | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.47801425; Eh | |||
 | 12-Dec-2016 | /YbPr YbPr | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.49216415; Eh |
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- 121 ADF