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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
17-Oct-2016	/Dimer/Al_Cl_Cl/Reactants/CHO/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	-	-309.728908968; Eh
15-Dec-2016	Mo132_(mu-S)2	Melgar, Dolores	ADF; 2012; 01	Geometry optimization	DFT	TZP	-
15-Dec-2016	W72Mo60_muO2	Melgar, Dolores	ADF; 2012; 01	Geometry optimization	DFT	TZP	-
15-Dec-2016	W132_muOmuS	Melgar, Dolores	ADF; 2012; 01	Geometry optimization	DFT	TZP	-
15-Dec-2016	Mo132_SeO4	Melgar, Dolores	ADF; 2012; 01	Single point	DFT	TZP	-
15-Dec-2016	W132_muO2	Melgar, Dolores	ADF; 2012; 01	Geometry optimization	DFT	TZP	-
17-Oct-2016	/Dimer/Al_Me_I/Insertion/Int2 Int2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3168.06117009; Eh
17-Oct-2016	/Dimer/Al_Me_Cl/Reactants/Dimer Dimer	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-2658.21873942; Eh
17-Oct-2016	/Dimer/Al_Me_I/Reactants/CAT CAT	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-1179.50195175; Eh
17-Oct-2016	/Reactants/CHO CHO	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	-	-309.736011608; Eh

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