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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
14-May-2019	/1-4 CF-U2-nonet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.78683556; Eh
11-Dec-2017	C72Cl3	Moreno Vicente, Antonio	ADF; 2013; 01	Geometry optimization	DFT	TZP	-23.35778389; Eh
29-Sep-2020	TEA	Masip, Albert	ADF; 2017	Geometry optimization	BP86	TZ2P	-5.48365514; Eh
29-Sep-2020	TMA	Masip, Albert	ADF; 2017	Geometry optimization	BP86	TZ2P	-3.07820177; Eh
29-Sep-2020	TBA	Masip, Albert	ADF; 2017	Geometry optimization	BP86	TZ2P	-10.29566200; Eh
17-Jul-2020	/U2N U2N@Ih(7)-C80	Rosello, Yannick	ADF; 2017	Geometry optimization	PBE0 == Not Default ==	TZP	-33.20689102; Eh
17-Jul-2020	/U2C U2C@Ih(7)-C80	Rosello, Yannick	ADF; 2017	Geometry optimization	PBE0 == Not Default ==	TZP	-33.08700361; Eh
14-May-2019	/1-2 CF-U2-quintet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.34268583; Eh
14-May-2019	/1-2 CF-U2-singlet	Moreno Vicente, Antonio	ADF; 2017	Geometry optimization	DFT	TZP	-43.88568947; Eh
13-Dec-2018	V18_18-0_OPT	Notario, Almudena	ADF; 2016	Geometry optimization	DFT	TZP	-19.79511607; Eh

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