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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/TSS30_S31 TSS30-S31_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1769.2040821; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS30_S31 TSS30-S31	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1768.87865481; Eh
	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 TS_F_Cpstar_II_III	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1302.95337695; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S13 S13	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-983.918836177; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS17_S18 TSS17-S18	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1301.17178878; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS17_S18 TSS17-S18_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1301.4129495; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/2d 2d_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-616.5227025; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_CF3_Cpstar_II_III TS_CF3_Cpstar_II_III	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1540.69260690; Eh

Results 31-40 of 282 (Search time: 0.001 seconds).