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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
18-Jul-2021	Product_5	Moreno Vicente, Antonio	ADF; 2018	Geometry optimization	PBE	TZP	-32.57320374; Eh
18-Nov-2022	/U2@C60/U2@C60_O2/U2@C60-1singlet U2@C60-1singlet	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-24.64089585; Eh
21-Dec-2020	Gd_0	Wang, Fei	ADF; 2016	Geometry optimization	OPBE	TZP	-46.01742778; Eh
2-Jul-2021	/U@C86 U@Cs(16)-C86	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-34.58303426; Eh
21-Dec-2020	La_0	Wang, Fei	ADF; 2016	Geometry optimization	OPBE	TZP	-45.69221259; Eh
2-Jul-2021	/U@C86 U@C2(17)-C86	Rosello, Yannick	ADF; 2019; 304	Geometry optimization	PBE0 == Not Default ==	TZP	-34.59123181; Eh
21-Dec-2020	La_1_5	Wang, Fei	ADF; 2016	Geometry optimization	OPBE	TZP	-46.24383160; Eh
2-Jul-2021	/U@C86 U@C2(14)-C86	Rosello, Yannick	ADF; 2019; 304	Geometry optimization	PBE0 == Not Default ==	TZP	-34.59187326; Eh
21-Dec-2020	Lu_1_5	Wang, Fei	ADF; 2016	Geometry optimization	OPBE	TZP	-46.17942038; Eh
21-Dec-2020	Gd_1_5	Wang, Fei	ADF; 2016	Geometry optimization	OPBE	TZP	-46.58764772; Eh

Results 131-140 of 186 (Search time: 0.001 seconds).