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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/2a 2a	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-734.344017649; Eh
	27-Jun-2023	SP_tsE-D3	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1364.8579715; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TS_Cl_Cpstar_II_III TS_Cl_Cpstar_II_III_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1663.6221107; Eh
	3-Oct-2019	wat_set_Brpdpph3cis	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3735.76392258; Eh
	3-Oct-2019	wat_set_Brpdpph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-4772.13274687; Eh
	3-Oct-2019	dmf_set_Brpdpf32trans	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3981.39195785; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S28 S28_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1394.8732934; Eh
	6-Aug-2020	/freq/intermediates/Cu/CHCl hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-148.67290672; eV
	26-Nov-2021	/Circular_Dichroism CD_Center_of_Cluster_8_(S)	Villar-Yanez, Alba	ADF; 2019	Single point	SAOP	TZP	-
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S28 S28	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1394.61612437; Eh

Results 34441-34450 of 103542 (Search time: 0.047 seconds).