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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/TSS24_S25 TSS24-S25_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1511.005021; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/VII VII	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1727.296224; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S1 S1	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-759.851301695; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S6 S6	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-879.979348908; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S6 S6_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-880.0937415; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/3a_TES 3a_TES	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-1078.59447431; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S30 S30	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1768.88052868; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S8 S8	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-778.148951604; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S19 S19	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1712.62724020; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/2a 2a	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-734.344017649; Eh

Results 61-70 of 281 (Search time: 0.001 seconds).