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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Sep-2022	/Cl_system i5-Cl-s-freq	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	LANL2DZ 6-31G GENECP*	-3529.74269973; Eh
	16-Sep-2022	/Cl_system i5-Cl-s	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G GENECP*	-3529.74269973; Eh
	16-Sep-2022	/Retention i5-Cl-trans-s-1-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-3569.8460828; Eh
	16-Sep-2022	/MECP/MECP5/Cl MECP5_Cl	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ 6-31G GENECP*	-3529.72571339; Eh
	26-Dec-2022	/Redox Cu2_heterocoupled	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) LANL2DZ GENECP	-2342.93860176; Eh
	26-Dec-2022	/Redox LCu1	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-1269.55539272; Eh
	26-Dec-2022	/Redox LCu2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) LANL2DZ GENECP	-1269.34149095; Eh
	26-Dec-2022	/NLE LCu2W2OTf2_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-3346.633355; Eh
	26-Dec-2022	/NLE OTf__SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-961.8930617; Eh
	26-Dec-2022	/NLE HFIP2__SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	AUG-CC-PVTZ CC-PVTZ GENECP	-1579.8065069; Eh

Results 1171-1180 of 12354 (Search time: 0.003 seconds).