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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 i5-+-t-freq	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ 6-31G GENECP*	-3069.35074909; Eh
	16-Sep-2022	/Retention i5-Cl-trans-t-1-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G* GENECP*	-3569.8374835; Eh
	16-Sep-2022	/Cl_system add-Cl-t	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G GENECP*	-3529.69493247; Eh
	16-Sep-2022	/MECP/MECP4/Cl MECP4Cl	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ 6-31G GENECP*	-3219.99376506; Eh
	16-Sep-2022	/MECP/MECP5/Cat MECP5_+	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ 6-31G GENECP*	-3069.34609742; Eh
	26-Feb-2024	ts-ch3oTf-ptmincomplex_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G SDD GENECP*	-2043.36150289; Eh
	26-Dec-2022	/Redox DIPEA_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-371.2090316; Eh
	16-Sep-2022	/Retention/MECP5trans MECP5-Cl-trans-t-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G* GENECP*	-3569.8324732; Eh
	16-Sep-2022	/Cationic_system i6-+	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G GENECP*	-3069.39713595; Eh
	16-Sep-2022	/Cl_system i6-Cl	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G GENECP*	-3529.76759517; Eh

Results 1151-1160 of 12354 (Search time: 0.003 seconds).