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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Jun-2017 | /Tetrahedral tetra10 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Tetrahedral tetra06 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Tetrahedral tetra08 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Tetrahedral tetra00 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Butterfly butterfly12 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Butterfly butterfly04 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Square square16 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Square square14 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Square square06 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Linear linear04 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - |
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