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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Jun-2019 | /OO_O/2_oxyls/3iso 3iso | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/1_oxyls/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/3_oxyls/2iso 2iso | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/2_oxyls/2iso 2iso | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/isodesmic_pair/nbo2 nbo2 | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/isodesmic_pair/nbo nbo | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/2_oxyls/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/3_oxyls/1iso 1iso | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/0_oxyls 0_oxyls | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - | |||
 | 21-Jun-2019 | /OO_O/4_oxyls 4_oxyls | Petrus, Enric | ADF; 2016 | Geometry optimization | PBE | TZP | - |
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- 1345 Geometry optimization
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- 30 Frequencies