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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-May-2016	H2O	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	-	-76.3517018433; Eh
	29-Jan-2016	b-P-4+_Frequency_Calculation	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RPBEPBE	6-311G(d,p); LANL2DZ	-880.739811516; Eh
	29-Jan-2016	TS3(Freq)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RPBEPBE	6-311G(d,p); LANL2DZ	-5146.12281564; Eh
	29-Jan-2016	TS3(Opt)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	6-311G(d,p); LANL2DZ	-5146.12281564; Eh
	24-Oct-2017	/Keggin_POM_catalyst/Gaussian_Benchmark Mdiss-PBE_TZP	Rellán, Marcos	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBEPBE	6-311G*	-51756.6476296; Eh
	24-Oct-2017	/Keggin_POM_catalyst/Gaussian_Benchmark Gdiss-PBE_LANL2TZ	Rellán, Marcos	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBEPBE	6-311G*	-4849.42706564; Eh
	24-Oct-2017	/Keggin_POM_catalyst/Gaussian_Benchmark TSepim-PBE_TZP	Rellán, Marcos	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBEPBE	6-311G*	-51756.6070112; Eh
	24-Oct-2017	/Keggin_POM_catalyst/Gaussian_Benchmark Gdiss-PBE_TZP	Rellán, Marcos	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBEPBE	6-311G*	-51756.6465836; Eh
	24-Oct-2017	/Keggin_POM_catalyst/Gaussian_Benchmark Mdiss_PBE_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 TSepim-BP86_LANL2TZ	Rellán, Marcos	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBEPBE	6-311G*	-4849.39098259; Eh

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