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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/TSS26_VII TSS26-VII	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1885.00369202; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS26_VII TSS26-VII_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1885.3511315; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/III_OMe_Cpstar III_OMe_Cpstar	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1318.26634164; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/III_OMe_Cpstar III_OMe_Cpstar_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1318.5641385; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1p 1p	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-515.229749727; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1p 1p_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-515.3594521; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_NO2_Cpstar_II_III TS_NO2_Cpstar_II_III_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1408.5041016; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_NO2_Cpstar_II_III TS_NO2_Cpstar_II_III	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1408.16991900; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_NO2_Cpstar_II_III/NBO TS_NO2_Cpstar_II_III_NBO	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1408.169919; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/NBO V_NBO	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1512.549643; Eh

Results 21-30 of 281 (Search time: 0.001 seconds).