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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2019	/wB97X-D PreProd_O_B	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LanL2DZ; 6-311G**	-1446.32805286; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_F_Cpstar_II_III TS_F_Cpstar_II_III_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1303.2572297; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS22_VII TSS22-VII_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-2334.1578077; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S22 S22	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-2333.79420684; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/II_H_CPstar II_H_Cpstar	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1203.78216141; 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
	21-Jun-2019	/wB97X-D TS1-model	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	LanL2DZ; 6-311G**	-1014.98638504; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/II_F_Cpstar II_F_Cpstar_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1303.289261; Eh

Results 1101-1110 of 1702 (Search time: 0.003 seconds).