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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
30-Jan-2019	/Gas_Opt/B3LYP/Reactants/Epoxyhexane/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	-	-311.1398549; 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
22-Feb-2020	TScisVI_VII_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-3061.1834449; Eh
9-May-2016	MECP	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	UPBEPBE	6-31+G; SDD*	-1198.48177757; Eh
9-May-2016	PdCl2	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-1048.26575163; Eh
9-May-2016	ROH	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	-	-232.146975576; Eh
9-May-2016	H2O2	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	-	-151.411054333; Eh
9-May-2016	RO	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	-	-230.961473784; Eh
9-May-2016	Cl-	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Structure	RPBEPBE	-	-460.167517893; Eh

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