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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
20-Jul-2018	/Cr2Zn/230 Geometry_Optization	Spivak, Mariano	ADF; 2013; 01	Geometry optimization	DFT	TZP; DZP	-20.83346606; Eh
14-May-2019	/1-4 CF-U2-quintet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.77048399; Eh
14-May-2019	/1-4 CF-U2-singlet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.77048399; Eh
14-May-2019	/1-2 CF-U2-nonet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.88017463; Eh
11-Dec-2017	C72Cl	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-23.17910328; Eh
11-Dec-2017	C72Cl2	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-23.28218781; Eh
14-May-2019	/1-2 CF-U2-triplet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.88471036; Eh
11-Dec-2017	C72Cl4	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-23.45098724; Eh
14-May-2019	/1-4 CF-U2-triplet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.76318511; Eh
14-May-2019	/1-4 CF-U2-nonet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.78683556; Eh

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