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Showing results 17340 to 17359 of 20492
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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/0_U 0_U | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/0_U 0_U | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
| 30-Apr-2019 | /U_Nb/1_U 1_U | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/1_U 1_U | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
| 30-Apr-2019 | /U_Nb/2_U/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/2_U/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
| 30-Apr-2019 | /U_Nb/2_U/2iso 2iso | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/2_U/2iso 2iso | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
| 30-Apr-2019 | /U_Nb/2_U/3iso 3iso | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/2_U/3iso 3iso | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
| 30-Apr-2019 | /U_Nb/3_U/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/3_U/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
| 30-Apr-2019 | /U_Nb/3_U/2iso 2iso | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/3_U/2iso 2iso | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
| 30-Apr-2019 | /U_Nb/3_U/3iso 3iso | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/3_U/3iso 3iso | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
| 30-Apr-2019 | /U_Nb/3_U/4iso 4iso | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/3_U/4iso 4iso | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - | |||
| 30-Apr-2019 | /U_Nb/4_U/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | |||
 | 21-Jun-2019 | /U_Nb/4_U/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization | BP86 | TZP | - |