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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 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	/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	/Retention i5-Cl-trans-s-1	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G GENECP*	-3569.06793514; Eh
	16-Sep-2022	/Cl_system TS45-Cl-s-c	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G GENECP*	-3529.66943279; 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
	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	/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	/MECP/MECP5/Cat SP-MECP5-+-1	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-3070.0678822; Eh

Results 11-20 of 55 (Search time: 0.002 seconds).