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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Sep-2022	/Cationic_system/SP i9-+-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-3313.1773492; Eh
	16-Sep-2022	/Cationic_system/SP TS45-+-oss-2-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G* GENECP*	-3070.0379659; Eh
	16-Sep-2022	/Cationic_system/SP TS34-+-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-3003.3881964; Eh
	16-Sep-2022	/Cationic_system/SP TS45-+-t-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G* GENECP*	-3070.0391842; Eh
	16-Sep-2022	/Cationic_system/SP TS45-+-s-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-3070.0308368; Eh
	16-Sep-2022	/Cationic_system/SP TS56-+-s-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-3070.0807128; Eh
	16-Sep-2022	/Cationic_system add-+-t	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G GENECP*	-3069.31335396; Eh
	16-Sep-2022	/Cationic_system i1-+-s	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G GENECP*	-2195.08417358; Eh
	26-Feb-2024	ch3i-sime3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-460.690397241; Eh
	16-Sep-2022	/Cationic_system i3-+	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G GENECP*	-3002.70533507; Eh

Results 1111-1120 of 12354 (Search time: 0.003 seconds).