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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Sep-2022	/Cationic_system TS56-+-s-2	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G GENECP*	-3069.36275786; Eh
	16-Sep-2022	/Cl_system/SP i1-Cl-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-2656.060745; Eh
	16-Sep-2022	/Cl_system/SP i2-Cl-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-2346.29116; Eh
	16-Sep-2022	/Cl_system/SP i3-Cl-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-3463.8249605; Eh
	26-Feb-2024	ch3c6h4ome-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-397.623373740; Eh
	16-Sep-2022	/Cl_system/SP i4-Cl-oss-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G* GENECP*	-3220.6900402; Eh
	16-Sep-2022	/Cl_system/SP i4-Cl-s-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-3220.6845181; Eh
	16-Sep-2022	/Cl_system/SP i5-Cl-t-2-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G* GENECP*	-3530.5083615; Eh
	16-Sep-2022	/Cl_system/SP i5-Cl-s-2-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-3530.5100579; Eh
	16-Sep-2022	/Cl_system/SP i4-Cl-t-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G* GENECP*	-3220.7093005; Eh

Results 11101-11110 of 12842 (Search time: 0.009 seconds).