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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Oct-2016	/Rb8_Ta6 Optimization_and_Frequencies	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	-	-1965.23929827; Eh
	13-Oct-2016	/Rb8_Ta6 Optimization_and_Frequencies_part_2	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	-	-1965.22773630; Eh
	27-Mar-2017	Mo7O24_red_opt	Melgar, Dolores	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Structure	RBP86	-	-2281.38519234; Eh
	30-Jan-2019	/Solv_Opt/wB97XD/Reactants/Iodide Iodide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RwB97XD	-	-11.5741245133; Eh
	30-Jan-2019	/Solv_Opt/B3LYP/TS1/PCM PCM	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB3LYP	6-311G**	-1502.71569017; Eh
	30-Jan-2019	/Solv_Opt/B3LYP/Reactants/Iodide Iodide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB3LYP	-	-11.5663988041; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/Reactants/Iodide Iodide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RM062X	-	-11.5129824486; Eh
	31-Jul-2015	/Butylamine/Catalyzed/TBD/Scan Scan	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RPM6	-	-0.280438686170; Eh
	31-Jul-2015	/Aniline/Catalyzed/TBD/Int3 Int3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	-	-1107.80716653; Eh
	31-Jul-2015	/Aniline/Catalyzed/TBD/TS2_freq TS2-freq	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB97D3	-	-1107.80702412; Eh

Results 31-40 of 88 (Search time: 0.002 seconds).