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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Oct-2017	/Keggin_POM_catalyst/Gaussian_Benchmark TSepim-PBE_LANL2TZ	Rellán, Marcos	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBEPBE	6-311G*	-4849.39098259; Eh
	24-Oct-2017	/Keggin_POM_catalyst/Gaussian_Benchmark Mdiss-BP86_LANL2TZ	Rellán, Marcos	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBEPBE	6-311G*	-4849.42857097; Eh
	24-Oct-2017	/Keggin_POM_catalyst/Gaussian_Benchmark Gdiss-BP86_LANL2TZ	Rellán, Marcos	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBEPBE	6-311G*	-4849.42706564; Eh
	29-Jan-2016	b-B-4+_Optimisation_and_Frequency_Calculation	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	6-311G(d,p); LANL2DZ	-880.734016176; Eh
	29-Jan-2016	b-M-4+_Optimisation_and_Frequency_Calculation	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-311G(d,p); LANL2DZ	-880.737464017; Eh
	29-Jan-2016	b-P-4+_Optimisation	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-311G(d,p); LANL2DZ	-880.739811516; Eh
	9-May-2016	PdII_Cl2_O2	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-1198.50814293; Eh
	9-May-2016	TS_I	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RPBEPBE	6-31+G; SDD*	-1430.64820361; Eh
	9-May-2016	ROH	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	-	-232.146975576; Eh
	9-May-2016	RO	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	-	-230.961473784; Eh

Results 11-20 of 182 (Search time: 0.002 seconds).