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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Oct-2017 | /DFT/Pathway_1 1_7_Kubas_di-hydride_attempt_S=1 | Bandeira, Nuno | ADF; 2016 | Geometry optimization | DFT | TZP; DZP | -45.48058199; Eh | |||
 | 27-Oct-2017 | /DFT Starting_complex | Bandeira, Nuno | ADF; 2016 | Geometry optimization | DFT | TZP; DZP | -23.30301570; Eh | |||
 | 27-Oct-2017 | /DFT/Pathway_1 1_6 | Bandeira, Nuno | ADF; 2016 | Geometry optimization | DFT | TZP; DZP | -45.48865812; Eh | |||
 | 27-Oct-2017 | /DFT/Pathway_1 1_7_Kubas_di-hydride_attempt | Bandeira, Nuno | ADF; 2016 | Geometry optimization | DFT | TZP; DZP | -45.48940092; Eh | |||
 | 27-Oct-2017 | /DFT/Pathway_2 2_2 | Bandeira, Nuno | ADF; 2016 | Geometry optimization | DFT | TZP; DZP | -46.70313726; Eh | |||
 | 27-Oct-2017 | /DFT/Pathway_3 3_4 | Bandeira, Nuno | ADF; 2016 | Geometry optimization | DFT | TZP; DZP | -46.69107987; Eh |
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