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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Sep-2022	/Retention/MECP5trans MECP5-Cl-trans-s-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-3569.8256095; Eh
	16-Sep-2022	/MECP/MECP4/Cat SP-MECP-4-+-1	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-2760.2575414; 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	/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
	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	/common/SP PhINTs-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-1117.5000546; Eh
	16-Sep-2022	/common/SP PhI-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-243.1099112; Eh
	16-Sep-2022	/common/SP P-SP	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G* GENECP*	-1184.2169235; Eh

Results 1-10 of 32 (Search time: 0.001 seconds).