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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
21-Dec-2020	Gd_1_5	Wang, Fei	ADF; 2016	Geometry optimization	OPBE	TZP	-46.58764772; Eh
23-Jan-2023	/ScY@C3v(8)-C82 ScY@C3v(8)-C82	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-32.87444552; Eh
2-Jul-2021	/U@C84 U@Cs(15)-C84	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-33.79051773; Eh
23-Jan-2023	/Y2@C3v(8)-C82 Y2@C3v(8)-C82	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-32.87140153; 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@C82 U@Cs(6)-C82	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-32.97563535; 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@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@C1(5)-C86	Rosello, Yannick	ADF; 2019; 306	Geometry optimization	PBE0 == Not Default ==	TZP	-34.59349975; Eh
18-Jul-2021	Intermediate_666_2a_	Moreno Vicente, Antonio	ADF; 2018	Geometry optimization	PBE	TZP	-32.54454497; Eh

Results 141-150 of 184 (Search time: 0.001 seconds).