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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 9-Jun-2017 | /Atoms Co1 | Swart, Marcel | ADF; | Single point | DFT | TZ2P | - | |||
![]() | 9-Jun-2017 | /Tetrahedral tetra14 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | |||
![]() | 9-Jun-2017 | /Atoms V3 | Swart, Marcel | ADF; | Single point | DFT | TZ2P | - | |||
![]() | 9-Jun-2017 | /Atoms Fe4 | Swart, Marcel | ADF; | Single point | DFT | TZ2P | - | |||
![]() | 9-Jun-2017 | /Tetrahedral tetra16 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | |||
![]() | 9-Jun-2017 | /Tetrahedral tetra10 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | |||
![]() | 9-Jun-2017 | /Atoms Co3 | Swart, Marcel | ADF; | Single point | DFT | TZ2P | - | |||
![]() | 9-Jun-2017 | /Atoms V5 | Swart, Marcel | ADF; | Single point | DFT | TZ2P | - | |||
![]() | 9-Jun-2017 | /Tetrahedral tetra02 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | |||
![]() | 9-Jun-2017 | /Tetrahedral tetra06 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - |
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