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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
12-Dec-2016 | /YbLa YbLa | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.47801425; Eh | ||||
12-Dec-2016 | /YbPr YbPr | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.49216415; Eh | ||||
12-Dec-2016 | /PrSm PrSm | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.76560074; Eh | ||||
12-Dec-2016 | /LaYb LaYb | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.46348621; Eh | ||||
12-Dec-2016 | /CeEr CeEr | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.58336157; Eh | ||||
12-Dec-2016 | /LuLa LuLa | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.63030986; Eh | ||||
12-Dec-2016 | /Ce2 Ce2 | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.71107968; Eh | ||||
12-Dec-2016 | /Pr2 Pr2 | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.68585732; Eh | ||||
12-Dec-2016 | /GdCe GdCe | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -28.01803075; Eh | ||||
12-Dec-2016 | /PrYb PrYb | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.48443718; Eh |
Results 1-10 of 20 (Search time: 0.002 seconds).