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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Feb-2022	/Pathway_c5c4_cat Int2C_Lig	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-4796.29495808; Eh
	11-Feb-2022	/Pathway_c5c4_cat TS2C-SL	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-4796.22175989; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSII_III TSII_III_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1007.3988847; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1s 1s_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-935.6478634; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/AgOAc AgOAc_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-374.2797006; Eh
	11-Feb-2022	/Pathway_c5c4_cat B1_Al	Villar-Yanez, Alba	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-2221.94449429; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S10 S10_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1688.8158234; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S11 S11_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-984.1721373; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSVI_VII TSVI_VII	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1886.78329591; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSVI_VII/NBO TSVI_VII_NBO	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1886.7832959; Eh

Results 1521-1530 of 1702 (Search time: 0.003 seconds).