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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Sep-2019	/Profile_2 TS_G	Bandeira, Nuno	ADF; 2017	TS	DFT	TZP; DZP; SZ	-31.92718813; Eh
	18-Sep-2019	U_di-imide_complex	Bandeira, Nuno	ADF; 2017	Geometry optimization	DFT	TZP; DZP; SZ	-33.95245448; Eh
	18-Sep-2019	Uoxo_complex	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZP; DZP; SZ	-31.15074571; Eh
	18-Sep-2019	UO2_complex	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZP; DZP; SZ	-28.35056548; Eh
	18-Sep-2019	CO2	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	DZP	-0.82216804; Eh
	9-Jun-2017	/Butterfly butterfly04	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
	9-Jun-2017	/Butterfly butterfly02	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
	9-Jun-2017	/Triangle triangle02	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
	9-Jun-2017	/Triangle triangle04	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-
	9-Jun-2017	/Square square04	Swart, Marcel	ADF;	Single point Quild	DFT	TZ2P	-

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