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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
12-Dec-2016 | /LaCe LaCe | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.67992481; Eh | ||||
12-Dec-2016 | /ErCe ErCe | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.59526922; Eh | ||||
12-Dec-2016 | /CeLa CeLa | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.68150899; Eh | ||||
12-Dec-2016 | /LaLu LaLu | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.61178707; Eh | ||||
12-Dec-2016 | /Er2 Er2 | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.45690545; Eh | ||||
12-Dec-2016 | /La2 La2 | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.64655737; Eh | ||||
12-Dec-2016 | /SmPr SmPr | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.77225457; Eh | ||||
12-Dec-2016 | /CeGd CeGd | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -28.00796380; Eh | ||||
12-Dec-2016 | /Yb2 Yb2 | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.28845804; Eh | ||||
12-Dec-2016 | /Sm2 Sm2 | González Fabra, Joan | ADF; 2013; 01 | Geometry optimization | DFT | TZP; DZP | -27.83624182; Eh |
Results 11-20 of 60 (Search time: 0.002 seconds).