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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 2-Mar-2021 | /Molybdenum/Mo1O6_6H Mo1O6_6H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
![]() | 2-Mar-2021 | /Molybdenum/Mo6O27_14H Mo6O27_14H | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | |||
![]() | 2-Mar-2021 | /Molybdenum/Mo4O13_0H Mo4O13_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
![]() | 2-Mar-2021 | /Molybdenum/Mo5O22_6H Mo5O22_6H | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | |||
![]() | 2-Mar-2021 | /Molybdenum/Mo1O6_7H Mo1O6_7H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
![]() | 2-Mar-2021 | /Molybdenum/Mo7O23_1H Mo7O23_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
![]() | 2-Mar-2021 | /Molybdenum/Mo4O13_1H Mo4O13_1H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
![]() | 2-Mar-2021 | /Molybdenum/Mo7O23_0H Mo7O23_0H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - | |||
![]() | 2-Mar-2021 | /Molybdenum/Mo5O22_7H Mo5O22_7H | Petrus, Enric | ADF; 2019 | Single point | PBE | TZP | - | |||
![]() | 2-Mar-2021 | /Molybdenum/Mo4O13_2H Mo4O13_2H | Petrus, Enric | ADF; 2019 | Geometry optimization | PBE | TZP | - |
Results 61-70 of 124 (Search time: 0.001 seconds).