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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Feb-2022	/model_system Ioct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2828.1114417; Eh
	15-Feb-2022	/model_system Koct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2828.1223545; Eh
	15-Feb-2022	/model_system Joct	Díaz-Ruiz, Marina	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	CC-PVTZ GENECP	-2828.1184614; 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	/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/MECP5trans MECP5trans	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	LANL2DZ 6-31G*	-
	26-Dec-2022	/NLE HFIP2__SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	AUG-CC-PVTZ CC-PVTZ GENECP	-1579.8065069; Eh

Results 8081-8090 of 15386 (Search time: 0.006 seconds).