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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Jul-2021 | Product_5 | Moreno Vicente, Antonio | ADF; 2018 | Geometry optimization | PBE | TZP | -32.57320374; Eh | |||
 | 18-Jul-2021 | /TS2_2a_ TS2_2a__Freq | Moreno Vicente, Antonio | ADF; 2018 | Single point | PBE | TZP | - | |||
 | 18-Jul-2021 | Intermediate_666_2a_ | Moreno Vicente, Antonio | ADF; 2018 | Geometry optimization | PBE | TZP | -32.54454497; Eh | |||
 | 18-Jul-2021 | Product_2a_ | Moreno Vicente, Antonio | ADF; 2018 | Geometry optimization | PBE | TZP | -32.58431538; Eh | |||
 | 18-Jul-2021 | Lu3N@C80 | Moreno Vicente, Antonio | ADF; 2018 | Geometry optimization | PBE | TZP | -27.07909494; Eh | |||
 | 18-Jul-2021 | Addend-2a_ | Moreno Vicente, Antonio | ADF; 2018 | Geometry optimization | PBE | TZP | -5.42179539; Eh | |||
 | 18-Jul-2021 | /TS2_2a_ TS2_2a_ | Moreno Vicente, Antonio | ADF; 2018 | Single point Quild | PBE | TZP | - | |||
 | 18-Nov-2022 | /U2@C50/U2@C50(263) U2@C50(263) | Rosello, Yannick | ADF; 2017 | Geometry optimization | PBE | TZP | -16.71198125; Eh | |||
| 18-Nov-2022 | /U2@C50/U2@C50(260) U2@C50(260) | Rosello, Yannick | ADF; 2017 | Geometry optimization | PBE | TZP | -16.72473895; Eh | |||
| 18-Nov-2022 | /U2@C50/U2@C50(262) U2@C50(262) | Rosello, Yannick | ADF; 2017 | Geometry optimization | PBE | TZP | -16.72914208; Eh |
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