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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
21-Oct-2016	/Fe13/Fe13F24 Corresponding_orbitals	Bandeira, Nuno	Orca; 3.0.3; RELEASE	Single point	DFT	SVP; SVP/J	-
12-Dec-2016	/GdCe GdCe	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-28.01803075; Eh
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	/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	/LaLu LaLu	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.61178707; Eh
12-Dec-2016	/Ce2 Ce2	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.71107968; Eh
12-Dec-2016	/Er2 Er2	González Fabra, Joan	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-27.45690545; Eh

Results 8921-8930 of 103542 (Search time: 0.008 seconds).