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Showing results 1 to 20 of 20

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
12-Dec-2016	/Ce2 Ce2	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.71107968; Eh
12-Dec-2016	/CeEr CeEr	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.58336157; Eh
12-Dec-2016	/CeGd CeGd	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-28.00796380; Eh
12-Dec-2016	/CeLa CeLa	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.68150899; Eh
12-Dec-2016	/Er2 Er2	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.45690545; Eh
12-Dec-2016	/ErCe ErCe	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.59526922; Eh
12-Dec-2016	/GdCe GdCe	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-28.01803075; Eh
12-Dec-2016	/La2 La2	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.64655737; Eh
12-Dec-2016	/LaCe LaCe	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.67992481; Eh
12-Dec-2016	/LaLu LaLu	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.61178707; Eh
12-Dec-2016	/LaYb LaYb	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.46348621; Eh
12-Dec-2016	/LuLa LuLa	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.63030986; Eh
12-Dec-2016	/Pr2 Pr2	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.68585732; Eh
12-Dec-2016	/PrSm PrSm	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.76560074; Eh
12-Dec-2016	/PrYb PrYb	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.48443718; Eh
12-Dec-2016	/Sm2 Sm2	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.83624182; Eh
12-Dec-2016	/SmPr SmPr	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.77225457; Eh
12-Dec-2016	/Yb2 Yb2	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.28845804; Eh
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

Showing results 1 to 20 of 20