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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Jul-2018 | /Second_Set/14A 14A | Petrus, Enric | ADF; 2016 | Geometry optimization TS | DFT | TZP | - | |||
 | 22-Jul-2018 | /Second_Set/18A 18A | Petrus, Enric | ADF; 2016 | Geometry optimization TS | DFT | TZP | - | |||
 | 22-Jul-2018 | /Second_Set/7B 7B | Petrus, Enric | ADF; 2016 | Geometry optimization TS | DFT | TZP | - | |||
 | 22-Jul-2018 | /Second_Set/no3_o2 no3_o2 | Petrus, Enric | ADF; 2016 | Geometry optimization TS | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P1/UO2_2NO3_2H2O UO2_2NO3_2H2O | Petrus, Enric | ADF; 2016 | Geometry optimization TS | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P1/UO2_NO3_2H2O UO2_NO3_2H2O | Petrus, Enric | ADF; 2016 | Geometry optimization TS | DFT | TZP | - | |||
 | 30-Apr-2019 | /OO_O/2_oxyls/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization TS | DFT | TZP | - | |||
| 30-Apr-2019 | /OO_O/0_oxyls 0_oxyls | Petrus, Enric | ADF; 2016 | Geometry optimization TS | DFT | TZP | - | |||
| 30-Apr-2019 | /OO_O/2_oxyls/3iso 3iso | Petrus, Enric | ADF; 2016 | Geometry optimization TS | DFT | TZP | - | |||
| 30-Apr-2019 | /OO_O/3_oxyls/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization TS | DFT | TZP | - |
Results 1-10 of 15 (Search time: 0.001 seconds).