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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
28-May-2019 | /M1O4_2H M1O4_2H | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | ||||
28-May-2019 | /M2O7_1H M2O7_1H | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | ||||
28-May-2019 | /M1O4_1H M1O4_1H | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | ||||
28-May-2019 | /M2O7_0H M2O7_0H | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | ||||
28-May-2019 | /M1O4_0H M1O4_0H | Petrus, Enric | ADF; 2016 | Geometry optimization | DFT | TZP | - | ||||
28-May-2019 | /M4O14_2H_3iso M4O14_2H_3iso | Petrus, Enric | ADF; 2016 | Single point | DFT | TZP | - | ||||
28-May-2019 | /M4O14_2H_2iso M4O14_2H_2iso | Petrus, Enric | ADF; 2016 | Single point | DFT | TZP | - | ||||
28-May-2019 | /M4O14_2H_4iso M4O14_2H_4iso | Petrus, Enric | ADF; 2016 | Single point | DFT | TZP | - | ||||
28-May-2019 | /M4O14_2H_6iso M4O14_2H_6iso | Petrus, Enric | ADF; 2016 | Single point | DFT | TZP | - | ||||
28-May-2019 | /M4O14_2H_5iso M4O14_2H_5iso | Petrus, Enric | ADF; 2016 | Single point | DFT | TZP | - |
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