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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
1-Feb-2017	/Ih-C60 Ih-C60F	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-19.30153198; Eh
14-May-2018	/NbL-H TS_NbOOH-CyH_Oalpha_LH	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB3LYP	-	-
2-Feb-2017	/D5h(271)-C50 Ca@D5h(271)-C50Cl16	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-17.29441158; Eh
2-Feb-2017	/C2v(1809)-C60 Ca@C2v(1809)-C60F4_(2)	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-19.82795034; Eh
2-Feb-2017	/C2v(1809)-C60 Ca@C2v(1809)-C60H2	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-19.52493920; Eh
2-Feb-2017	/C2v(1809)-C60 C2v(1809)-C60H2_(2)	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-19.42653029; Eh
2-Feb-2017	/C2v(4059)-C66 C2v(4059)-C66Cl10	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-21.91728344; Eh
2-Feb-2017	/D5h(271)-C50 D5h(271)-C50F4	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-16.39216727; Eh
1-Feb-2017	/C2v(1809)-C60 Ca@C2v(1809)-C60H4	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-19.82672167; Eh
14-May-2018	/NbL-H TS_NbOO-CyH_peroxopath_LH	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB3LYP	-	-

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