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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Apr-2019 | /OO_O/isodesmic_pair/nbo2 nbo2 | Petrus, Enric | ADF; 2016 | Geometry optimization Minimum | DFT | TZP | - | |||
| 30-Apr-2019 | /OO_O/isodesmic_pair/nbo nbo | Petrus, Enric | ADF; 2016 | Geometry optimization TS | DFT | TZP | - | |||
| 30-Apr-2019 | /OO_O/1_oxyls/2iso 2iso | Petrus, Enric | ADF; 2016 | Geometry optimization TS | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P1/Product Product | Petrus, Enric | ADF; 2016 | Geometry optimization Minimum | DFT | TZP | - | |||
 | 22-Jul-2018 | /ADF/ADF_P1/H2 H2 | Petrus, Enric | ADF; 2016 | Geometry optimization Minimum | DFT | TZP | - | |||
| 28-May-2019 | /M5O18_2H M5O18_2H | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | |||
| 28-May-2019 | /M5O18_3H M5O18_3H | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | |||
| 28-May-2019 | /M4O14_2H_7iso M4O14_2H_7iso | Petrus, Enric | ADF; 2016 | Single point | DFT | TZP | - | |||
| 28-May-2019 | /M4O14_2H_8iso M4O14_2H_8iso | Petrus, Enric | ADF; 2016 | Single point | DFT | TZP | - | |||
| 28-May-2019 | /M4O14_3H_1iso M4O14_3H_1iso | Petrus, Enric | ADF; 2016 | Single point | DFT | TZP | - |
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