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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Jun-2017 | /Butterfly butterfly04 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Butterfly butterfly02 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Triangle triangle02 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Triangle triangle04 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Square square04 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Atoms Fe2 | Swart, Marcel | ADF; | Single point | DFT | TZ2P | - | ||||
9-Jun-2017 | /Lv3 Lv3_sp | Swart, Marcel | ADF; 2017 | Single point | DFT | TZ2P | - | ||||
9-Jun-2017 | /Triangle triangle16 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Triangle triangle08 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Tetrahedral tetra02 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - |
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