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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/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
	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
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/II_F_Cpstar II_F_Cpstar	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1302.98609836; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_F_Cpstar_II_III/NBO TS_F_Cpstar_II_III_nbo	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1302.9533769; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S13 S13_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-984.1509391; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/2d 2d	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-616.430494637; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS22_VII TSS22-VII	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-2333.77770912; Eh

Results 41-50 of 281 (Search time: 0.001 seconds).