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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2019	/Gas_Opt/B3LYP/Reactants/Iodide/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-11.5658994; Eh
	30-Jan-2019	/Gas_Opt/B3LYP/Reactants/CO2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-188.6434599; Eh
	30-Jan-2019	/Gas_Opt/B3LYP/IC IC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	6-311G**	-1491.14619951; Eh
	30-Jan-2019	/Gas_Opt/B3LYP/Int2_l/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311G**	-1691.3791992; Eh
	30-Jan-2019	/Gas_Opt/B3LYP/Int2_l Int2_l	González Fabra, Joan	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	6-311G**	-1691.31771559; Eh
	30-Jan-2019	/Gas_Opt/B3LYP/Int1/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311G**	-1502.732974; Eh
	30-Jan-2019	/Gas_Opt/B3LYP/Reactants/CO2 CO2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	-	-188.641138787; Eh
	30-Jan-2019	/Gas_Opt/B3LYP/Reactants/Iodide Iodide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB3LYP	-	-11.4721100599; Eh
	30-Jan-2019	/Gas_Opt/B3LYP/Int1 Int1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	6-311G**	-1502.67692450; Eh
	30-Jan-2019	/Gas_Opt/B3LYP/Reactants/Cat/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311G**	-1179.984843; Eh

Results 21-30 of 107 (Search time: 0.001 seconds).