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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jul-2020 | Mo3O10_0H_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -4.06211496; Eh | |||
 | 24-Jul-2020 | Mo8O26_1H_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -10.43745892; Eh | |||
 | 24-Jul-2020 | Mo8O26_2H_BP | Petrus, Enric | ADF; 2019 | Geometry optimization | BP86 | TZP | -10.39215182; Eh | |||
 | 21-Jun-2019 | /U_Nb/isodesmic_pair/NbOOH NbOOH | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/isodesmic_pair/UO2 UO2 | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/4_U/3iso 3iso | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/4_U/2iso 2iso | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/4_U/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/3_U/4iso 4iso | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/6_U 6_U | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - |
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