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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Sep-2022	/MECP/MECP4/Cat SP-MECP-4-+-3	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G* GENECP*	-2760.2564764; Eh
	16-Sep-2022	/Cl_system i2-Cl	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G GENECP*	-2345.77725685; Eh
	16-Sep-2022	/Cl_system TS45-Cl-oss-2	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G GENECP*	-3529.68464583; Eh
	16-Sep-2022	/Retention i5-Cl-cis2-t-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G* GENECP*	-3569.8286044; Eh
	16-Sep-2022	/Cl_system i4-Cl-s	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G GENECP*	-3219.99760583; Eh
	16-Sep-2022	/Cationic_system i9-+	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G GENECP*	-3312.38870215; Eh
	16-Sep-2022	/MECP/MECP5/Cl SP-MECP5-Cl-1	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-3530.4921872; Eh
	16-Sep-2022	/Cationic_system TS34-+	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G GENECP*	-3002.67947322; Eh
	16-Sep-2022	/Cl_system TS45-Cl-t-2	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G GENECP*	-3529.68868397; Eh
	16-Sep-2022	/Cl_system TS56-Cl-s-N	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G GENECP*	-3529.74128486; Eh

Results 1161-1170 of 12354 (Search time: 0.004 seconds).