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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/S28 S28	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1394.61612437; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/1u 1u	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GENECP	-590.410677966; Eh
	3-Oct-2019	dmf_set_Brpdpme32trans	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3621.69520566; Eh
	3-Oct-2019	thf_set_Brpdpme3cis	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3160.53966712; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/S28 S28_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1394.8732934; Eh
	3-Oct-2019	dmf_set_Brpdph32trans	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3385.73097353; Eh
	3-Oct-2019	dmf_set_Brpdph3trans	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3042.55126417; Eh
	3-Oct-2019	thf_set_Brpdph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3385.73105480; Eh
	26-Nov-2021	/Circular_Dichroism CD_Center_of_Cluster_9_(S)	Villar-Yanez, Alba	ADF; 2019	Single point	SAOP	TZP	-
	28-May-2022	/AuPd-CuPd-NiAl Au3Pd(100)-p(3x3)-Au-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-262.41829932; eV

Results 32731-32740 of 104515 (Search time: 0.023 seconds).