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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/TSCH2_Inter TSCH2_Inter	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1916.99837589; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1ae 1ae	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-769.935997240; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/3a_Ph 3a-Ph	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-783.025470684; Eh
	30-Sep-2021	/Water/TS_water ch3c6h5-OTf-ts_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1233.29548906; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSCH2_Inter TSCH2_Inter_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1917.4149956; Eh
	30-Sep-2021	/Water/TS_water ch3nh2-cf3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-433.650882859; Eh
	30-Sep-2021	/Water/TS_water ch3nh2-cn-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-188.784918190; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/3a_Ph 3a-Ph_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-783.2161362; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1ae 1ae_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-770.0636512; Eh
	30-Sep-2021	/Water/TS_water ch3i-OTf-ts_6311+Gd_ch2lcl2_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-1013.10542263; Eh

Results 34611-34620 of 103542 (Search time: 0.044 seconds).