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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
28-May-2019 | /M4O14_3H_7iso M4O14_3H_7iso | Petrus, Enric | ADF; 2016 | Single point | DFT | TZP | - | ||||
28-May-2019 | /M4O14_3H_6iso M4O14_3H_6iso | Petrus, Enric | ADF; 2016 | Single point | DFT | TZP | - | ||||
22-Jul-2018 | /ADF/ADF_P1/Water Water | Petrus, Enric | ADF; 2016 | Geometry optimization Minimum | DFT | TZP | - |
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