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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
10-May-2016	/free_fullerene_optimisations C60	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-19.36451413; Eh
12-Dec-2016	/Al6Cr6_models/Cr0_2_4 Cr_0_2_4	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.32651486; Eh
10-May-2016	/full_capsule_optimisations C78_SBSB	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-84.93316237; Eh
10-May-2016	/full_capsule_optimisations C84_ABAB	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-86.95232326; Eh
12-Dec-2016	/Al6Cr6_models/Cr1_1_4 Cr1_1_4	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.32353328; Eh
10-May-2016	/full_capsule_optimisations C76_ABAB	Serapian, Stefano	ADF; 2013; 01	Geometry optimization	DFT	TZP	-84.26762596; Eh
12-Dec-2016	/Al6Cr6_models/Cr2_3_1 Cr2_3_1c	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.33726434; Eh
12-Dec-2016	/Al6Cr6_models/Cr2_3_1 Cr2_3_1a	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.33753091; Eh
12-Dec-2016	/Al6Cr6_models/Cr2_3_1 Cr2_3_1b	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.33755011; Eh
12-Dec-2016	/Al6Cr6_models/Cr3_2_1 Cr3_2_1	Bandeira, Nuno	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.33824358; Eh

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