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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Apr-2018 | /ADF17_calculations/electrochemistry Siii_neutral | Roser, Morales | ADF; 2017 | Geometry optimization | DFT | TZP | -26.41488913; Eh | |||
 | 23-Apr-2018 | /ADF17_calculations/electrochemistry Siii_red2 | Roser, Morales | ADF; 2017 | Geometry optimization | DFT | TZP | -26.67730035; Eh | |||
 | 23-Apr-2018 | /ADF17_calculations/Opt Si_opt | Roser, Morales | ADF; 2017 | Geometry optimization | DFT | TZP | -26.40950289; Eh | |||
 | 23-Apr-2018 | /ADF17_calculations/electrochemistry Siii_ox2 | Roser, Morales | ADF; 2017 | Geometry optimization | DFT | TZP | -26.02486217; Eh | |||
 | 23-Apr-2018 | /ADF17_calculations/electrochemistry Siii_red1 | Roser, Morales | ADF; 2017 | Geometry optimization | DFT | TZP | -26.56469589; Eh | |||
 | 23-Apr-2018 | /ADF17_calculations/electrochemistry Siii_ox1 | Roser, Morales | ADF; 2017 | Geometry optimization | DFT | TZP | -26.23374829; Eh | |||
 | 23-Apr-2018 | /ADF17_calculations/Opt Siii_opt | Roser, Morales | ADF; 2017 | Geometry optimization | DFT | TZP | -26.40932045; Eh | |||
 | 23-Apr-2018 | /ADF17_calculations/Opt Sii_opt | Roser, Morales | ADF; 2017 | Geometry optimization | DFT | TZP | -26.40690239; Eh | |||
 | 25-Sep-2018 | /U@(17418)C76 U@C76_triplet_opt | Roser, Morales | ADF; 2013; 01 | Geometry optimization | DFT | TZP | -25.08741306; Eh | |||
 | 23-Apr-2018 | /ADF17_calculations/Opt Siv_opt | Roser, Morales | ADF; 2017 | Geometry optimization | DFT | TZP | -26.40932319; Eh |
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