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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2019	/B2O4(C2H4)2 B2pin2	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311G**	-508.161166289; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/KIE_110/2_110 2_110	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-734.344017649; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S33 S33	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1099.04343646; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S34 S34	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1314.30474815; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S3 S3	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1007.17853786; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/AgI AgI	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ GENECP	-157.233292641; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S33 S33_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1099.2789928; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/AgI AgI_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-157.2362653; Eh
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_6_(S)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB2PLYP-FC	DEF2TZV	-1408.0060551; Eh
	21-Jun-2019	/B2O4(C2H4)2 Int2-Ni-B	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1269.54295142; Eh

Results 32911-32920 of 104515 (Search time: 0.021 seconds).