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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/Cl SP-MECP4-Cl-3	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G* GENECP*	-3220.6819532; Eh
	16-Sep-2022	/MECP/MECP5/Cat SP-MECP5-+-3	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G* GENECP*	-3070.0724203; Eh
	16-Sep-2022	/Retention i5-Cl-trans-t-1	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G GENECP*	-3569.05337303; Eh
	16-Sep-2022	/Cationic_system TS45-+-t-2	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G GENECP*	-3069.31036871; 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	/Cationic_system TS45-+-s	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G GENECP*	-3069.30422104; Eh
	16-Sep-2022	/MECP/MECP4/Cl SP-MECP4-Cl-1	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-3220.6799611; 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
	26-Dec-2022	/NLE Cu1_homocoupled_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-2343.9036141; Eh
	26-Dec-2022	/NLE HFIP_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-790.1351943; Eh

Results 8021-8030 of 15386 (Search time: 0.006 seconds).