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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Mar-2016 | APP1_iso103625 | Poblet, Josep M. | ADF; 2012; 01 | Geometry optimization | DFT | TZP | -30.78559129; Eh | |||
 | 18-Mar-2016 | APP3_103648 | Poblet, Josep M. | ADF; 2012; 01 | Geometry optimization | DFT | TZP | -30.73850182; Eh | |||
 | 18-Mar-2016 | APP2_iso103054 | Poblet, Josep M. | ADF; 2012; 01 | Geometry optimization | DFT | TZP | -30.74072567; Eh | |||
 | 18-Mar-2016 | IPR_86 | Poblet, Josep M. | ADF; 2012; 01 | Geometry optimization | DFT | TZP | -30.76455501; Eh | |||
 | 18-Mar-2016 | IPR_44 | Poblet, Josep M. | ADF; 2012; 01 | Geometry optimization | DFT | TZP | -30.79038824; Eh | |||
 | 18-Mar-2016 | IPR_36 | Poblet, Josep M. | ADF; 2012; 01 | Geometry optimization | DFT | TZP | -30.80487066; Eh | |||
 | 18-Mar-2016 | APP1_iso124451 | Poblet, Josep M. | ADF; 2012; 01 | Geometry optimization | DFT | TZP | -30.77686954; Eh | |||
 | 18-Mar-2016 | APP2_124337 | Poblet, Josep M. | ADF; 2012; 01 | Geometry optimization | DFT | TZP | -30.77043136; Eh | |||
 | 1-Mar-2016 | Sc2O@Td(2)-C76_optimization | Abella, Laura | ADF; 2012; 01 | Geometry optimization | DFT | TZP; TZ2P | -25.00749065; Eh | |||
 | 1-Mar-2016 | Frequencies_of_Sc2O@Td(2)-C76 | Abella, Laura | ADF; 2012; 01 | Single point Minimum | DFT | TZP; TZ2P | - |
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