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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/TSS24_S25 TSS24-S25	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1510.72717282; Eh
	21-Jun-2019	/wB97X-D Int2_Ni_B2Cs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LanL2DZ; 6-311G**	-1446.30424594; Eh
	21-Jun-2019	/wB97X-D CsBCO3	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LanL2DZ; 6-311G**	-695.086000714; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S25 S25	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1510.76367060; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S25 S25_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1511.0400642; 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/1ai 1ai	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-452.640022686; Eh
	21-Jun-2019	/wB97X-D Cat_	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LanL2DZ; 6-311G**	-1329.27629743; Eh
	21-Jun-2019	/wB97X-D PrevN	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LanL2DZ; 6-311G**	-1693.11443553; Eh
	21-Jun-2019	/wB97X-D Int2_Ni_BCs	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LanL2DZ; 6-311G**	-1446.29129491; Eh

Results 1131-1140 of 1702 (Search time: 0.002 seconds).