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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Apr-2019 | /U_Nb/3_U/2iso 2iso | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | ||||
30-Apr-2019 | /U_Nb/2_U/3iso 3iso | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | ||||
30-Apr-2019 | /U_Nb/2_U/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | ||||
30-Apr-2019 | /U_Nb/3_U/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | ||||
30-Apr-2019 | /U_Nb/2_U/2iso 2iso | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | ||||
30-Apr-2019 | /U_Nb/3_U/3iso 3iso | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | ||||
30-Apr-2019 | /U_Nb/0_U 0_U | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | ||||
30-Apr-2019 | /U_Nb/1_U 1_U | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | ||||
30-Apr-2019 | /U_Nb/isodesmic_pair/NbOOH NbOOH | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | ||||
30-Apr-2019 | /U_Nb/isodesmic_pair/UO2 UO2 | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - |
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