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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
2-Feb-2017	/D5h(271)-C50 D5h(271)-C50F4	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-16.39216727; Eh
2-Feb-2017	/D5h(271)-C50 Ca@D5h(271)-C50Cl16	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-17.29441158; Eh
30-Jan-2017	/U@C82/U@C82_opt U@C82_9_B_quintet	Roser, Morales	ADF; 2013; 01	Geometry optimization	DFT	TZP	-26.54172949; Eh
2-Jul-2021	/U@C86 U@C1(12)-C86	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-34.59170559; Eh
2-Jul-2021	/U@C86 U@C1(11)-C86	Rosello, Yannick	ADF; 2019; 302	Geometry optimization	PBE0 == Not Default ==	TZP	-34.60133512; Eh
2-Jul-2021	/U@C86 U@C2(17)-C86	Rosello, Yannick	ADF; 2019; 304	Geometry optimization	PBE0 == Not Default ==	TZP	-34.59123181; Eh
2-Jul-2021	/U@C84 U@C2(8)-C84	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-33.79012120; Eh
2-Jul-2021	/U@C86 U@C2(14)-C86	Rosello, Yannick	ADF; 2019; 304	Geometry optimization	PBE0 == Not Default ==	TZP	-34.59187326; Eh
2-Jul-2021	/U@C86 U@C1(5)-C86	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-34.59349975; Eh
2-Jul-2021	/U@C86 U@Cs(16)-C86	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-34.58303426; Eh

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