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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S14 S14	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-983.909383476; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S14 S14_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-984.1425614; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_F_Cpstar_II_III/NBO TS_F_Cpstar_II_III_nbo	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1302.9533769; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S13 S13_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-984.1509391; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_CF3_Cpstar_II_III TS_CF3_Cpstar_II_III_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1541.0697135; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/II_H_CPstar II_H_Cpstar_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1204.0511062; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1ai 1ai	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-452.640022686; Eh
	1-Dec-2017	/Racemization/From6RingTo5/Al_Cat/CO2_Insertion/TS_CC TS_CC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2214.95562318; Eh
	1-Dec-2017	/Racemization/Prod_H Prod_H	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.933545631; Eh
	21-Jun-2019	/wB97X-D B2pin2	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G**	-822.527328853; Eh

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