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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-Apr-2020 | Capsule_M1 | Petrus, Enric | ADF; 2019 | Geometry optimization | OPBE | TZP | - | ||||
8-Apr-2020 | 6e_reduced | Petrus, Enric | ADF; 2019 | Single point | OPBE | TZP | - | ||||
8-Apr-2020 | Capsule_M2 | Petrus, Enric | ADF; 2019 | Geometry optimization | OPBE | TZP | - | ||||
8-Apr-2020 | 18e_reduced | Petrus, Enric | ADF; 2019 | Single point | OPBE | TZP | - | ||||
8-Apr-2020 | 12e_reduced | Petrus, Enric | ADF; 2019 | Single point | OPBE | TZP | - | ||||
8-Apr-2020 | 24e_reduced | Petrus, Enric | ADF; 2019 | Single point | OPBE | TZP | - | ||||
8-Apr-2020 | 1e_reduced | Petrus, Enric | ADF; 2019 | Single point | OPBE | TZP | - | ||||
8-Apr-2020 | 0e_reduced | Petrus, Enric | ADF; 2019 | Single point | OPBE | TZP | - |
Results 1-8 of 8 (Search time: 0.001 seconds).