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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/S5 S5	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1727.77865837; Eh
	21-Jun-2019	/B2O4(C2H4)2 Cs	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ	-19.7987647362; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/KIE_110/II_H_Cpstar_110 II_H_Cpstar_110_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1164.7349345; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/KIE_110/2_110 2_110_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-734.4587299; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S5 S5_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1728.1253832; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S2 S2_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1007.4181572; 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
	28-May-2022	/AuPd-CuPd-NiAl Cu3Pd-bulk	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-16.80929410; eV
	21-Jun-2019	/B2O4(C2H4)2 tetraB	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311G**	-637.995651822; Eh

Results 34821-34830 of 103542 (Search time: 0.034 seconds).