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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
9-Jun-2017 | /Linear linear10 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Triangle triangle10 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Lv3 Lv3 | Swart, Marcel | ADF; 2017 | Geometry optimization | DFT | TZ2P | - | ||||
9-Jun-2017 | /Butterfly butterfly06 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Triangle triangle00 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Butterfly butterfly14 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Triangle triangle14 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Square square08 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Butterfly butterfly08 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - | ||||
9-Jun-2017 | /Triangle triangle06 | Swart, Marcel | ADF; | Single point Quild | DFT | TZ2P | - |
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