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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
13-Dec-2018 | V18_18-0_OPT | Notario, Almudena | ADF; 2016 | Geometry optimization | DFT | TZP | -19.79511607; Eh | ||||
13-Dec-2018 | V18_16-2_OPT | Notario, Almudena | ADF; 2016 | Geometry optimization | DFT | TZP | - | ||||
13-Dec-2018 | V18_12-6_OPT | Notario, Almudena | ADF; 2016 | Geometry optimization | DFT | TZP | -19.08635647; Eh | ||||
13-Dec-2018 | V18_10-8_OPT | Notario, Almudena | ADF; 2016 | Geometry optimization | DFT | TZP | -18.76280887; Eh | ||||
13-Dec-2018 | V18_8-10_OPT | Notario, Almudena | ADF; 2016 | Geometry optimization | DFT | TZP | -18.38877688; Eh |
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