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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 12-Apr-2021 | /Ta K-Cs | Bo, Carles | ADF; 2019 | Geometry optimization | BP86 | TZP | - | |||
 | 12-Apr-2021 | /UO2(O2)3 Na-Rb | Bo, Carles | ADF; 2010; 01 | Geometry optimization | BP86 | TZP | -1478.55446412; eV | |||
 | 12-Apr-2021 | /UO2(O2)3 Na-Cs | Bo, Carles | ADF; 2010; 01 | Geometry optimization | BP86 | TZP; DZP | -1483.81058310; eV | |||
 | 12-Apr-2021 | /UO2(O2)3 K-Rb | Bo, Carles | ADF; 2010; 01 | Geometry optimization | BP86 | TZP; DZP | -1483.46076060; eV | |||
 | 12-Apr-2021 | /UO2(O2)3 K-K | Bo, Carles | ADF; 2010; 01 | Geometry optimization | BP86 | TZP; DZP | -1483.40811988; eV | |||
 | 12-Apr-2021 | /UO2(O2)3 K-Cs | Bo, Carles | ADF; 2010; 01 | Geometry optimization | BP86 | TZP; DZP | -1484.12878334; eV | |||
 | 15-Jan-2020 | /ADF/Expansion_Dataset/2o2_no3 2o2_no3 | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
 | 15-Jan-2020 | /ADF/Expansion_Dataset/UO2_NO3_xH2O/UO2_4H2O UO2_4H2O | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
 | 15-Jan-2020 | /ADF/UO2_2NO3_xH2O/UO2_3H2O UO2_3H2O | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
 | 15-Jan-2020 | /ADF/Expansion_Dataset/UO2_OH_xH2O/UO2_2H2O UO2_2H2O | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - |
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