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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Sep-2017	4_Me	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	lanl2dz; 6-31+g(d)	-2529.39739093; Eh
	29-Sep-2017	7minor_tbu_solv	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	lanl2dz; 6-31+g(d)	-4183.24481518; Eh
	29-Sep-2017	5_tbu_solv	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	lanl2dz; 6-31+g(d)	-2764.74471620; Eh
	29-Sep-2017	3	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+g(d)	-1858.15055969; Eh
	1-Dec-2017	/Racemization/EnsembleBn_OCC EnsembleBn_OCC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-783.847601737; Eh
	29-Sep-2017	TSPA	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	lanl2dz; 6-31+g(d)	-2856.21677656; Eh
	29-Sep-2017	5_Me	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	lanl2dz; 6-31+g(d)	-2528.91819204; Eh
	29-Sep-2017	7major_Me	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	lanl2dz; 6-31+g(d)	-3947.42424765; Eh
	29-Sep-2017	7minor_Me	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	lanl2dz; 6-31+g(d)	-3947.42294477; Eh
	1-Dec-2017	/Racemization/CC_Alk CC_Alk	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.399402698; Eh

Results 11-20 of 497 (Search time: 0.002 seconds).