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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S32 S32	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-852.141380070; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S2 S2	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1007.18188286; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/3j 3j_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1157.4241291; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S32 S32_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-852.3248739; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/KIE_110/II_H_Cpstar_110 II_H_Cpstar_110	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	GENECP	-
	26-Nov-2021	/Optimized_Structures Center_of_Cluster_8_(S)	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB2PLYP-FC	DEF2TZV	-1407.9977637; Eh
	21-Jun-2019	/B2O4(C2H4)2 Int2-Ni-BCs	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1289.42221503; Eh
	21-Jun-2019	/B2O4(C2H4)2 Int3_Ni_B_C	Mateo, Anna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LanL2DZ; 6-311G**	-1269.55460524; Eh

Results 32921-32930 of 104515 (Search time: 0.02 seconds).