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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Jul-2018 | /ADF/ADF_P303/HNO3 HNO3 | Petrus, Enric | ADF; 2016 | Single point Minimum | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P1/HNO3 HNO3 | Petrus, Enric | ADF; 2016 | Geometry optimization Minimum | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P303/H2 H2 | Petrus, Enric | ADF; 2016 | Single point Minimum | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P303/NO3 NO3 | Petrus, Enric | ADF; 2016 | Single point Minimum | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P303/Py Py | Petrus, Enric | ADF; 2016 | Single point Minimum | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P303/UO2_NO3_2H2O UO2_NO3_2H2O | Petrus, Enric | ADF; 2016 | Single point TS | DFT | TZP | - | |||
 | 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 | - |
Results 31-40 of 123 (Search time: 0.001 seconds).